ライフサイエンスコーパス: lipophilicity

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

2 ecific binding to lung tissue increases with lipophilicity.

3 and constant despite significant addition of lipophilicity.

4 n species generation, and increased relative lipophilicity.

5 widely used predictors of hydrophobicity and lipophilicity.

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

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

8 entration, catalyst structure, and substrate lipophilicity.

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

10 ecular weight and only a modest elevation in lipophilicity.

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

12 bility can be largely ascribed to changes in lipophilicity.

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

14 on and showed only a slight correlation with lipophilicity.

15 ning fragments to reduce rotatable bonds and lipophilicity.

16 ective neuronal NOS inhibitors due to higher lipophilicity.

17 e sclera, with the impedance increasing with lipophilicity.

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

19 lly and were generally correlated with their lipophilicity.

20 ign of novel GCPII inhibitors with increased lipophilicity.

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

22 ent substituents to optimize its potency and lipophilicity.

23 cid (DHA)[C22:6n-3] in order to increase its lipophilicity.

24 caffold rigidity can be used to tune optimal lipophilicity.

25 h: electronic conductivity, capacitance, and lipophilicity.

26 .25-25 mug/mL), which was also influenced by lipophilicity.

27 l phytochemicals based on molecular mass and lipophilicity.

28 rical neutrality, as well as relatively high lipophilicity.

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

30 orption maximum, based on molecular mass and lipophilicity.

31 e, extent of intracellular accumulation, and lipophilicity.

32 is widely used as experimental descriptor of lipophilicity.

33 reas the brain accumulated PFCAs with higher lipophilicities.

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

39 Lipophilicity and antioxidant activity were determined t

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

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

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

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

44 gues, N-trifluoromethyl azoles have a higher lipophilicity and can show increased metabolic stability

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

46 for an (S)-3-hydroxypyrrolidine reduced the lipophilicity and further increased activity by 10-fold,

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

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

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

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

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

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

53 While general criteria regarding lipophilicity and measured pK(a) in formulation are unde

54 reas are very potent sEH inhibitors, but the lipophilicity and metabolism of the adamantane group com

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

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

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

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

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

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

61 Various approaches, including enhancing lipophilicity and rigidity of new inhibitors and modulat

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

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

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

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

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

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

72 properties of these compounds (basicity and lipophilicity) and analyzed their ability to block Shake

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

74 t allowed rebalancing of properties, such as lipophilicity, and also potency.

75 eference radiopharmaceuticals, medium-to-low lipophilicity, and high human serum albumin binding.

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

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

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

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

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

85 roup resulted in enhanced potency, decreased lipophilicity, and significantly improved pharmacokineti

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 s differences in the size, charge, polarity, lipophilicity, and the presence of posttranslational mod

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

90 Moreover, aroma lipophilicity appears to reflect molecular conformation.

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

92 Tactics to reduce lipophilicity are discussed, such as "motif extensions"

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

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

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

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

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

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

99 Increasing lipophilicity by acetylation improves antioxidant activi

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

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

102 Our findings indicate that modulating lipophilicity can be used to engineer favorable ADME pro

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

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

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

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

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

108 e of measured basicity (pK(a) = 6.0-6.6) and lipophilicity (cLogD = 10-14).

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

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

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

112 had significantly improved potency and lower lipophilicity compared to 2-AMPP.

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

114 t they possess distinct charge distribution, lipophilicity, conformation and metabolic stability(1-3)

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

116 Enhanced lipophilicity contributes to their higher accumulation i

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

118 The low lipophilicity coupled with a low anticipated clinically

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

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

121 effects would occur in cardiac myocytes in a lipophilicity-dependent manner between 2 common statins:

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

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

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

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

126 This highly lipophilicity-efficient modification ultimately led to t

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

128 A stringent control of lipophilicity ensured that 28 had favorable physicochemi

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

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

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

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

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

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

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

136 ally improves the Abeta-binding affinity and lipophilicity for favorable blood-brain barrier penetrat

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

138 Lipophilicity has a dominant effect on many parameters t

139 ries of polyphenol derivatives of increasing lipophilicity has been determined in fish oil-in-water e

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

141 lysis of a large body of drug data indicates lipophilicity has no consistent directional impact on do

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

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

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

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

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

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

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

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

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

151 4]diazepin-2(3H)-one), provided with an high lipophilicity index and able to increase NCX activity.

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

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

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

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

156 Solute lipophilicity inversely correlated with the SCRPE cumula

157 Optimization of compound lipophilicity is a key aspect of drug discovery.

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

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

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

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

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

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

164 ctivity, molecular weights, and a measure of lipophilicity (log P) for corresponding BGC-synthesized

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

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

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

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

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

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

171 physicochemical descriptors and contemporary lipophilicity measurements on permeability and solubilit

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

173 The aim of this work was to compare the lipophilicity modulations induced by 16 distinct known a

174 of parent molecules illustrates the relative lipophilicity modulations of aliphatic fluorination moti

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

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

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

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

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

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

181 Increasing the aglycone lipophilicity of a series of polysulfated oligosaccharid

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

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

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

185 Lipophilicity of chemicals and drug candidates is normal

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

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

188 rformance liquid chromatography, whereas the lipophilicity of each tracer was determined by the n-oct

189 The acylation significantly increased the lipophilicity of EGC.

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

191 In addition, the lipophilicity of ethers, sulfoxides, and sulfones is dra

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

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

194 Unfortunately, the lipophilicity of moenomycin leads to unfavourable pharma

195 fluoroalkyl substituents on the acidity and lipophilicity of monofunctionalized cyclopropanes.

196 Very similar lipophilicity of perfluoroalkyl and alkyl chains with th

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

198 The high lipophilicity of perfluoroalkyl carboxylate and sulfonat

199 Advantageously, the high lipophilicity of perfluorooctanesulfonate allows for its

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

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

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

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

204 The high lipophilicity of the compounds adversely affects the in

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

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

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

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

209 our surprise, inversely correlated with the lipophilicity of the ion-pairing complexes formed betwee

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

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

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

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

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

215 e simulations significantly overestimate the lipophilicity of the peptide.

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

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

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

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

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

221 To compensate for the pronounced lipophilicity of the SiFA unit, we used metal chelates,

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

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

224 vity profiles were obtained depending on the lipophilicity of the TriPPPro-NTP prodrugs against HIV-1

225 appended to the phosphorus atom informs the lipophilicity of these compounds, their Lewis acidity, a

226 The lipophilicity of these new tracers was determined by rev

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

228 The lipophilicity of this group enabled the prodrug to penet

229 Finally, the lipophilicity of trifluorinated glucose analogues was as

230 the CF(2)H moiety on H-bond (HB) acidity and lipophilicity of various compounds, when attached direct

231 an polymer particle to overcome the inherent lipophilicity of VSDs by dynamic encapsulation and high-

232 zed based on the interplay of the effects of lipophilicity on individual parameter values in pharmaco

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

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

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

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

237 The higher lipophilicity originates from a strong electron-withdraw

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

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

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

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

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

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

244 pecific ranges for drug parameters for which lipophilicity plays such a dominant role.

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

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

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

248 The lipophilicity profile of these zwitterionic compounds is

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

250 mpounds showed high permeability over a wide lipophilicity range, with peak permeabilities differing

251 s confirming known trends, a number of novel lipophilicity-reducing motifs are introduced.

252 optimize against hERG not relying simply on lipophilicity reduction.

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

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

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

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

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

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

259 uorinated phenyl ring and properties such as lipophilicity, solubility, metabolic stability, and free

260 omolar potent inhibitors against CA IX, with lipophilicities spanning two log units.

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

264 Regarding lipophilicity, the CF(2)H group may act as a more lipoph

265 Irrespective of lipophilicity, these ozonide weak acids have relatively

266 d, we advocate for approaches less biased to lipophilicity through optimization of key parameter rati

267 to chromatographic retention measurements of lipophilicity through the assembly of a phospholipid mon

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

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

270 -27, which balanced potency, solubility, and lipophilicity to allow proof-of-concept studies in mice.

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

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

273 cial emphasis on imaging agents with reduced lipophilicity to provide a PET ligand with improved biod

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

275 P values, are involved in discussing various lipophilicity trends.

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

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

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

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

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

283 Lipophilicity was relevant to the binding of most of the

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

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

286 ial is predicted to be enhanced by increased lipophilicity, we have developed a novel method for the

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

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

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

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

299 mulation than oxaliplatin, due to its higher lipophilicity, with negligible nephro- and hepatotoxicit

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