ライフサイエンスコーパス: lipophilicity

1 ange), and N- or C-alkylation (modulation of lipophilicity).

2 rical neutrality, as well as relatively high lipophilicity.

3 bility can be largely ascribed to changes in lipophilicity.

4 , but the majority of these suffer from high lipophilicity.

5 on and showed only a slight correlation with lipophilicity.

6 lower than expected based on the compound's lipophilicity.

7 orption maximum, based on molecular mass and lipophilicity.

8 ective neuronal NOS inhibitors due to higher lipophilicity.

9 e sclera, with the impedance increasing with lipophilicity.

10 a, while Fg and Fh decreased with increasing lipophilicity.

11 e, extent of intracellular accumulation, and lipophilicity.

12 lly and were generally correlated with their lipophilicity.

13 ign of novel GCPII inhibitors with increased lipophilicity.

14 ts for the DAG-lactones with the appropriate lipophilicity.

15 s the compounds fell into the right range of lipophilicity.

16 is widely used as experimental descriptor of lipophilicity.

17 lites, increase binding affinity, and reduce lipophilicity.

18 ll charge of the complexes rather than their lipophilicity.

19 ecific binding to lung tissue increases with lipophilicity.

20 and constant despite significant addition of lipophilicity.

21 n species generation, and increased relative lipophilicity.

22 widely used predictors of hydrophobicity and lipophilicity.

23 st in part due to other factors, for example lipophilicity.

24 ves to be concentrated in a narrow margin of lipophilicity.

25 .25-25 mug/mL), which was also influenced by lipophilicity.

26 entration, catalyst structure, and substrate lipophilicity.

27 l phytochemicals based on molecular mass and lipophilicity.

28 rams obtained for a series of ions of varied lipophilicity.

29 ecular weight and only a modest elevation in lipophilicity.

30 ion-transfer potentials as a measure of ion lipophilicity.

31 reas the brain accumulated PFCAs with higher lipophilicities.

32 res were measured to reveal a range of their lipophilicities.

33 ne-3,20-dione (endo-6; RBA = 65 and moderate lipophilicity), 21-fluoro-16alpha,17alpha-[(R)-1'-alpha-

34 tic molecules have tended to lead to greater lipophilicity, a factor that is generally agreed to be c

35 PFCAs with lower lipophilicities accumulated more in the liver, whereas t

36 model-based, nonlinear function of a drug's lipophilicity, acidity, and other properties.

37 We investigate an approach that uses lipophilicity, affinity, and similarity to known aggrega

38 Esterification also increases lipophilicity, allowing tmTCEP to penetrate phospholipid

39 ides, which were designed to possess optimal lipophilicities and aqueous solubilities by in silico ca

40 s, [18F]17a and [18F]17b, exhibited moderate lipophilicities and showed excellent initial brain penet

41 Lipophilicity and antioxidant activity were determined t

42 us consequences, as farnesyl groups increase lipophilicity and are involved in membrane association a

43 ulated to contribute to overcoming increased lipophilicity and attenuating hERG binding.

44 In light of these data, lipophilicity and basic character have the highest influ

45 RG) ion channel inhibition were dependent on lipophilicity and basicity in this series.

46 d ThT to neutral BTA-1 in terms of increased lipophilicity and binding affinity was studied, with cal

47 SAR analyses showed that lipophilicity and chlorine substitution at C3 increased

48 activity, and a correlation between overall lipophilicity and cytotoxic activity was observed.

49 Instead, balance between lipophilicity and hydrophilicity had a greater influence

50 The appendage significantly lowers lipophilicity and improves metabolic stability while pre

51 crease volume of distribution include adding lipophilicity and introducing basic functional groups in

52 The relationship between chelator lipophilicity and iron-clearing efficacy in the iron-ove

53 y and efficacy at the CB1 receptor, reducing lipophilicity and limiting the central nervous system (C

54 constant can be strongly affected by ligand lipophilicity and linker length/structure.

55 ties displayed a parabolic function of their lipophilicity and maximized with alkyl chain lengths of

56 We have recently shown a clear trend between lipophilicity and P-glycoprotein inhibitory activity for

57 anesthetic molecule well correlates with its lipophilicity and phospholipids were eventually identifi

58 In silico models indicated that lipophilicity and polar surface area are key molecular f

59 l ligands, it may be necessary to limit both lipophilicity and polar surface area, translating to a n

60 mental enhancements, while modulation of the lipophilicity and prodrug approaches led to substantiall

61 Furthermore, the lipophilicity and redox properties of the novel complexe

62 in which properties such as amphiphilicity, lipophilicity and solubility can be tuned.

63 Tracer lipophilicity and stability in human serum were tested i

64 The effect of lipophilicity and structure on the biodistribution was i

65 revealed a positive correlation between drug lipophilicity and the drug response in yeast.

66 tween in vitro anticoagulant activities with lipophilicity and the extent of human serum albumin bind

67 series, a monotonic relationship between the lipophilicity and the in vivo PDT activity was observed.

68 distribution of the PSs were affected by the lipophilicity and the position of the alkyl chains on th

69 density of polar contacts without increasing lipophilicity and this is best achieved early in discove

70 ogram was conducted with a focus on reducing lipophilicity and understanding the physicochemical prop

71 cation of 24, a potent FFA1 agonist with low lipophilicity and very high ligand efficiency that exhib

72 nificantly improved solubility and decreased lipophilicity and were potent against chloroquine-sensit

73 art failure, have in common a high degree of lipophilicity and, therefore, have the ability to cross

74 Calculated molecular weights, lipophilicities, and polar surface areas are presented,

75 pact on binding affinity, D2/D3 selectivity, lipophilicity, and function.

76 oisomers displaying lower solubility, higher lipophilicity, and higher cell permeability.

77 oach to address oxidative metabolism, reduce lipophilicity, and improve aqueous solubility.

78 ochemical properties such as molecular size, lipophilicity, and ionization state.

79 s between the properties and molecular size, lipophilicity, and ionization state.

80 ffinity, greater tissue penetration owing to lipophilicity, and longer half life.

81 by MDR efflux ratio), passive permeability, lipophilicity, and metabolic stability.

82 In conclusion, ionization state, lipophilicity, and polar descriptors are found to be the

83 To investigate the impact of charge, lipophilicity, and position on biodistribution, 10 varia

84 were investigated for their affinity to HSA, lipophilicity, and relaxivity in the absence and presenc

85 Based on daily dose, lipophilicity, and RM, a DILI score algorithm was develo

86 the acyl-sulfonyl moiety, modulation of the lipophilicity, and strategic introduction of fluorine in

87 are described extending beyond planarity and lipophilicity, and the impact and considerations of AhR

88 The charge, lipophilicity, and the tri-dimensional shape of the PS a

89 Moreover, aroma lipophilicity appears to reflect molecular conformation.

90 Waals radii (VdW), atomic charges, and local lipophilicity), applied to the 32 series suggests struct

91 charges, hydrogen-bonding capacity and local lipophilicity), applied to the anilide series suggests s

92 nation patterns on their properties, such as lipophilicity, aqueous solubility, and metabolic stabili

93 ich reveals the fact that polarizability and lipophilicity are the main factors influencing the disso

94 ent inhibition of dopamine uptake, and lower lipophilicities as predicted by cLogD values.

95 testing in human hepatocytes, we identified lipophilicity as a key molecular property influencing th

96 tions, and physicochemical properties beyond lipophilicity (as measured by Kow).

97 Following a lipophilicity-based hypothesis, an 8-hydroxyquinolinone

98 ics due to significant enhancenment in their lipophilicity, bioavailability, and fast uptake by the p

99 Lipophilicity/bioavailibility of Mn(III) N-alkylpyridylp

100 Increasing lipophilicity by acetylation improves antioxidant activi

101 roving metabolic stability while controlling lipophilicity by introducing small modifications to the

102 ctanol were determined as a measure of their lipophilicity by ion-transfer cyclic voltammetry.

103 odification in an attempt to reduce its high lipophilicity (c log D = 6.94) while optimizing D3 recep

104 Increasing chelator lipophilicity can both substantially augment iron cleari

105 Lipophilicity can have a profound effect on ligand organ

106 ace with anionic polyelectrolytes of varying lipophilicity can regulate the uptake of lipid NPs by en

107 oups at the C2 moiety on aqueous solubility, lipophilicity, cellular platinum accumulation, and cytot

108 fatty amines or tetradecanol to enhance the lipophilicity, cellular uptake, and cellular retention f

109 -activity relationship studies revealed that lipophilicity, chain length, and the location of key aro

110 olecular properties achieved via disciplined lipophilicity changes was essential to achieve both high

111 human oral absorption (EHOA) using measured lipophilicity (CHI log D) and calculated size (cMR) has

112 ivalent flexible acyl chain (10) of matching lipophilicity, clearly demonstrated the effect of the ri

113 ng affinity (K(i) = 0.7-100 nM) and moderate lipophilicity (cLogD(7.4)) in the range of 2.1-4.5 has b

114 M in an enzyme assay and possessed very high lipophilicity (clogP = 7.1) with no measurable solubilit

115 data together with experimentally determined lipophilicity (clogP) and solubility show the importance

116 rely on the computing of descriptors such as lipophilicity (cLogP) and topological surface area (TPSA

117 The series was optimized to reduce lipophilicity compared to rimonabant to achieve peripher

118 At similar lipophilicity, compared to the nonfluorinated purpurinim

119 Apart from dose, lipophilicity contributes significantly to risk for hepa

120 Enhanced lipophilicity contributes to their higher accumulation i

121 Negative charge and moderate lipophilicity correlate with increased HSA affinity and

122 observations confirm predictions of a marked lipophilicity decrease imparted by a vic-difluoro unit w

123 the discovery of subtle PXR SAR that was not lipophilicity dependent.

124 metabolites crossed this BBB cell model in a lipophilicity-dependent way.

125 We investigated an alternate approach to lipophilicity determination using a mimic of an alkyl al

126 Correlations between lipophilicity determined by calculated logP values and i

127 neamine core and the corresponding required lipophilicity determined here should permit a more selec

128 w that antioxidant activity was related with lipophilicity, directly in brain homogenates and inverse

129 Although difluoromethyl is considered a lipophilicity enhancing group, the range of the experime

130 rm, however, its contribution to the overall lipophilicity exceeds 8 and 5 times that of the noncharg

131 more potent agonist 40, a compound with low lipophilicity, excellent in vitro metabolic stability an

132 Such a transfer of lipophilicity, exemplified by compounds 1 and 3, was con

133 These studies demonstrate that pKa and lipophilicity exert significant but sometimes opposing i

134 d relationships between binding affinity and lipophilicity, expressed as Log (1/K(m)) and Log K(ow),

135 gn dopamine uptake inhibitors with favorable lipophilicities for drug development, a comparative mole

136 lyzed the combined factors of daily dose and lipophilicity for 164 US Food and Drug Administration-ap

137 candidate compound 103 displayed appropriate lipophilicity for a CNS indication and showed excellent

138 onsiderably advances assessments of (phospho)lipophilicity for drug discovery and for environmental r

139 Progressive increase of lipophilicity from shorter hydrophilic (methyl) to longe

140 the bicyclic nucleus was designed to reduce lipophilicity from the initial leads such as 7.

141 ent work explores the strategy of relocating lipophilicity from the side chain to the lactone "core".

142 r acetylated derivatives (AcD), as increased lipophilicity has been reported to improve absorption.

143 Ten distinct metalloinsertors with varying lipophilicities have been synthesized and their mismatch

144 (chloroethyl) sulfide simulants of variable lipophilicity have been examined using a hydrogen peroxi

145 tively high EC(50) in cell based assays, low lipophilicity, high topological polar surface area (tPSA

146 Comparing to changes in lipophilicity highlights structural transformations that

147 e particular conformation, compact size, and lipophilicity/hydrophilicity balance observed in the bri

148 due to differences in the ligands' relative lipophilicity, i.e., the more hydrophobic DNP molecules

149 cin analogues: is toxicity simply related to lipophilicity, ICE, or a combination of these properties

150 ODIPY) fluorophore segment that both imparts lipophilicity in lieu of the isoprenyl tail of ubiquinon

151 iperidinoxyl (TEMPO) derivatives of variable lipophilicity in reactions with antioxidant Trolox, and

152 uglike propeties with the careful control of lipophilicity in the lead series.

153 w high-affinity TSPO ligands with attenuated lipophilicity, including one example with attractive pro

154 4]diazepin-2(3H)-one), provided with an high lipophilicity index and able to increase NCX activity.

155 eld hits with superior ligand efficiency and lipophilicity indices than do X-ray and NMR.

156 permeability studies indicated that although lipophilicity influences the permeability it is not the

157 y effort featured the judicious placement of lipophilicity, informed by co-crystal structures with IR

158 transport of carboxylic acids with different lipophilicities into a giant unilamellar lipid vesicle (

159 Solute lipophilicity inversely correlated with the SCRPE cumula

160 Descriptors included terms describing lipophilicity, ionization, molecular volume, and various

161 de substituents, coupled with a reduction in lipophilicity leading to an overall increase in metaboli

162 , focused on breaking planarity and reducing lipophilicity, led to the identification of spiropiperid

163 d by targeting a ligand efficiency dependent lipophilicity (LELP) score of less than 10, yielded a 10

164 having side chains of varied saturation and lipophilicity linked to the aromatic ring through an ami

165 o[2.2.1]heptane, [(18)F](-)-6c) and greatest lipophilicity (log D 7.4 = 0.99) exhibited optimal brain

166 inic acetylcholine receptor (nAChR) and with lipophilicity (log D) ranging from -1.6 to +1.5 have bee

167 Galanin receptor affinity, serum stability, lipophilicity (log D), and activity in the 6 Hz mouse mo

168 ole isomer shows an order of magnitude lower lipophilicity (log D), as compared to its isomeric partn

169 to occur for any chemical with even moderate lipophilicity (log KOW > 2 and log KOA > 6) as long as t

170 Altering the lipophilicity (log P(app)) of desferrithiocin analogues

171 A successful QSAR for predicting the lipophilicity (log P(ow)) of several classes of Cu(II)-c

172 An important application is lipophilicity (log P) modulation.

173 tify the influence of basic covariates, like lipophilicity (log P), dissociation constant (pK(a)), an

174 ogues are synthesized and assessed for their lipophilicity (log Papp), iron-clearing efficiency (ICE)

175 y, we reported the Rule-of-2 (RO2) and found lipophilicity (logP >/=3) and daily dose >/=100 mg of or

176 s possessing less desirable properties (high lipophilicity, low polar surface area).

177 g of carotenoids differed according to their lipophilicity: lycopene, beta-carotene and lutein diffus

178 igh affinity (K(i), 0.15 nM) and appropriate lipophilicity (measured logD, 3.4) for PET brain imaging

179 igh-throughput method has been developed for lipophilicity measurement.

180 to predict risk for DILI more reliably, and lipophilicity might be a contributing factor.

181 is work revealed the existence of windows of lipophilicity necessary for obtaining strong antibacteri

182 agmental analysis also demonstrates that the lipophilicities of perfluoroalkyl and alkyl groups with

183 log P measurements showed that the lipophilicities of the copper complexes were increased d

184 To increase the lipophilicity of 7 by addition of a nonpolar substituent

185 Additionally, to increase the overall lipophilicity of [Dmt(1)]-DALDA and to investigate the P

186 tentials reveals that the 10(4) times higher lipophilicity of a perfluoroalkanesulfonate in compariso

187 , approximately 2 orders of magnitude higher lipophilicity of a perfluoroalkyl carboxylate or sulfona

188 uch recognition is influenced further by the lipophilicity of a receptor during the ion-transport pro

189 Increasing the aglycone lipophilicity of a series of polysulfated oligosaccharid

190 ins the Meyer-Overton hypothesis, or why the lipophilicity of an anesthetic and its potency are gener

191 eful for environmental analysis because high lipophilicity of an ion is relevant to its bioaccumulati

192 phosphate buffered saline medium the actual lipophilicity of cationic drugs (K(PLIPW,cation)) is ove

193 Lipophilicity of chemicals and drug candidates is normal

194 f such channels was tuned by controlling the lipophilicity of designed monomers.

195 The lipophilicity of DNR was investigated at the water/1,6-d

196 In order to enhance the lipophilicity of EGCG for improved bioefficiency and to

197 method, the influence of fluorination on the lipophilicity of fluorinated aliphatic alcohols was dete

198 us relative to mouse apo A-I, and the higher lipophilicity of human apo A-II.

199 Unfortunately, the lipophilicity of moenomycin leads to unfavourable pharma

200 Very similar lipophilicity of perfluoroalkyl and alkyl chains with th

201 Here we report on remarkably high lipophilicity of perfluoroalkyl carboxylate and sulfonat

202 The high lipophilicity of perfluoroalkyl carboxylate and sulfonat

203 Advantageously, the high lipophilicity of perfluorooctanesulfonate allows for its

204 ning differences in surface modification and lipophilicity of silicone hydrogel lenses.

205 with that of BPB might be due to the higher lipophilicity of TBBPA.

206 ncy and MIC values correlate with increasing lipophilicity of the C-4 substituent of the 5-hydroxy-1H

207 xylates is compromised not only by the lower lipophilicity of the carboxylate group but also by its o

208 On the basis of the lower lipophilicity of the chromen-4-one core compared to the

209 The high lipophilicity of the compounds adversely affects the in

210 of the metastatic brain tumor and not on the lipophilicity of the drug.

211 mpounds, however, our findings show that the lipophilicity of the ferrocene moiety is not well modele

212 is, the aim of this work was to increase the lipophilicity of the hibiscus anthocyanins by lipophiliz

213 ependent on affinity for sensitivity but the lipophilicity of the indicator.

214 uptake of 1-5 in HeLa cells increases as the lipophilicity of the investigated complex increases.

215 endence of the spikes reflect the charge and lipophilicity of the ionic load of the droplets.

216 A comparison of the relative lipophilicity of the methyl-substituted cycloSal trieste

217 inistration may be effected depending on the lipophilicity of the molecule administered.

218 tions with anionic biomolecules and (ii) the lipophilicity of the molecule.

219 tight control over the molecular weight and lipophilicity of the molecules.

220 roved the water solubility and decreased the lipophilicity of the neutral ligands, resulting in compl

221 e simulations significantly overestimate the lipophilicity of the peptide.

222 nvestigate how the tri-dimensional shape and lipophilicity of the photosensitizer (PS) affect cellula

223 The lipophilicity of the plasticizer was found to have a gre

224 ovel optical transduction mechanism and high lipophilicity of the polymer matrix that results in line

225 wed the effect of the increased rigidity and lipophilicity of the receptor with the 2,4,6-triethylben

226 phenyl ring substituents of 3-5 increase the lipophilicity of the resulting complexes, whereas the tr

227 In addition, the lipophilicity of the silicon atom facilitates their memb

228 dal transmembrane transporters increases the lipophilicity of the transporter and this is shown to be

229 The lipophilicity of these new tracers was determined by rev

230 d to determine how systematic changes in the lipophilicity of these potent antioxidants impact their

231 The lipophilicity of this group enabled the prodrug to penet

232 njugation (and thus transport, excretion and lipophilicity) of a broad range of endobiotics and xenob

233 )F]31 and 2-[(18)F]FA shows the influence of lipophilicity on the binding potential.

234 o compare the effects of cationic radius and lipophilicity on the rate of alkylation.

235 on was found for other parameters, including lipophilicity or acidity of the required acid functional

236 We found no association between drug lipophilicity or Biopharmaceutical Drug Disposition Clas

237 ly weakly correlated with properties such as lipophilicity or molecular weight.

238 ure-guided increase in potency without added lipophilicity or reduction of three-dimensional characte

239 The higher lipophilicity originates from a strong electron-withdraw

240 d, and depicted in terms of species-specific lipophilicities over the entire pH range.

241 nd 2002 (329 drugs) show that mean values of lipophilicity, percent polar surface area and H-bond don

242 The lipophilicity/pH profile of a weakly basic drug (quinine

243 The BSs differed with regard to their lipophilicity, pKa values, and the size of their hydroph

244 rent in vitro properties such as solubility, lipophilicity, pKa, and cell permeability for two sets o

245 onditions based on known analyte properties (lipophilicity, pKa, and polar surface area) using one pr

246 Interestingly, although lipophilicity plays a dominant role for P-gp inhibitors,

247 anidines, seeking high affinity and moderate lipophilicity, plus necessary amenability for labeling w

248 ted molecular weight (MW), ionization state, lipophilicity, polar descriptors, and free rotatable bon

249 ich could be rationalized by considering the lipophilicity, potency, and intrinsic efficacy of the co

250 The lipophilicity profile of these zwitterionic compounds is

251 For N-terminally placed tags, lipophilicity promoted liver uptake and decreased kidney

252 dants with low oxidation potentials and high lipophilicity-properties favoring their efficacy as neur

253 optimize against hERG not relying simply on lipophilicity reduction.

254 ntly larger and more potent but have similar lipophilicity relative to their originating leads, sugge

255 he delicate balance of size, solubility, and lipophilicity required for cell penetration and oral adm

256 AZD6642 shows high specific potency and low lipophilicity, resulting in a selective and metabolicall

257 In sharp contrast to the classic "size/lipophilicity" rule of membrane transport, those molecul

258 The data set indicated that lipophilicity shows a negative relationship while polar

259 favorable physicochemical properties such as lipophilicity, solubility and metabolic stability necess

260 iinfectives show comparable distributions of lipophilicity, suggesting that this property in oral dru

261 djacent to the carbonyl group induces higher lipophilicity than fluorine on nucleobase or in the back

262 ability is lower and less dependent on their lipophilicity than the permeability controlled by their

263 nding energy per unit of molecular weight or lipophilicity, than ligands for monoamine GPCRs.

264 These results suggest that besides overall lipophilicity the inherent charge of the photosensitizer

265 he substituent on the amide was increased in lipophilicity the potency and hERG inhibition increased,

266 he nonspecific interactions without reducing lipophilicity, the present work explores the strategy of

267 matic rings and/or a decrease in the overall lipophilicity through the introduction of heteroatoms.

268 otency at PNMT and that would have increased lipophilicity, thus increasing the likelihood they will

269 parallel synthesis with a focus on balancing lipophilicity to achieve robust aqueous solubility while

270 ons demonstrate that by programming catalyst lipophilicity to colocalize catalyst and substrate, the

271 ific interactions) but also provide adequate lipophilicity to facilitate partitioning into the lipid-

272 otatable bonds and to maintain an acceptable lipophilicity to mitigate hERG inhibition.

273 ctation that the cyclohexyl ring will impart lipophilicity to the molecule, high reactivity to the ni

274 ocuses on designing ligands that balance the lipophilicity/toxicity problem while iron-clearing effic

275 The experimental lipophilicity values of all isomers were in the optimal

276 In agreement with their high lipophilicity values, nitrone 3 was insoluble in water,

277 The lead compound 21a exhibits reduced lipophilicity versus 1 and did not affect the growth or

278 the number of acetate groups increased, the lipophilicity was decreased.

279 ution of zwitterionic species to the overall lipophilicity was experimentally proven for the first ti

280 a low level radiometabolite of intermediate lipophilicity was identified as [18F]2-fluoro-N-(2-pheno

281 ransfer protein (CETP) inhibition at reduced lipophilicity was identified.

282 and thereby improve the solubility, whereas lipophilicity was increased to enhance the intestinal pe

283 new series of polymethoxy benzamides, whose lipophilicity was modulated through the establishment of

284 Lipophilicity was relevant to the binding of most of the

285 er to achieve good sigma1R potency a minimum lipophilicity was required, while limiting to a defined

286 und-free probe development through optimized lipophilicity, water solubility and charged van der Waal

287 Given its greater lipophilicity, we tested the hypothesis that apo A-II an

288 acids GABA and glutamate as well as improved lipophilicity were realized.

289 r druglike properties, hydrogen bonding, and lipophilicity were studied.

290 rane antigen (PSMA) inhibitors of increasing lipophilicity were synthesized (4, 5, and 6), and their

291 rphyrins (ZnPs) with progressively increased lipophilicity were synthesized to investigate how the tr

292 rties (molecular size, ionization state, and lipophilicity), were analyzed for a set of ADMET assays.

293 redox potentials, antioxidant capacities and lipophilicities, were analysed.

294 aintaining low molecular weight and moderate lipophilicity, which are the important features for the

295 ly, several structural modifications reduced lipophilicities while retaining the desired binding prof

296 g that the ability to maintain low levels of lipophilicity while increasing molecular weight is one o

297 inhibitors focused on driving a reduction in lipophilicity with maintained or increased ligand lipoph

298 gated because of the positive correlation of lipophilicity with Mtb potency.

299 se in enzyme affinity and a 100-fold drop in lipophilicity with the addition of only two heavy atoms.

300 from matched molecular pairs, and control of lipophilicity yielded compounds very close to the desire