ライフサイエンスコーパス: ADME

1 ADME and in vivo pharmacokinetic studies suggest that 3

2 ADME and mouse pharmacokinetic profiling for BDGR-20237

3 ADME evaluation supports SG-02's oral bioavailability.

4 ADME predictions indicated good solubility and oral bioa

5 ADME profiling of 14j suggested a long half-life in both

6 ADME profiling revealed that CDN 13 has attractive drug-

7 ADME properties were further optimized via introduction

8 ADME SARfari is a freely available web resource that ena

9 ADME studies demonstrated for the most promising prodrug

10 with adequate brain penetration, acceptable ADME properties, no P-glycoprotein, and no hERG liabilit

11 Advancing ADME knowledge will aid establishment of in vitro-in viv

12 valuation of the most potent compounds in an ADME panel showed that these compounds possess poor solu

13 On the basis of an ADME analysis, a new series of compounds, the arylazanyl

14 sing and Signaling Hypothesis argues that an ADME gene-centered network-including SLC and ABC "drug"

15 we compared the antimalarial activities and ADME profiles of the 1,2-dioxolane, 1,2,4-trioxane, and

16 evaluated by multiple biological assays and ADME profiling.

17 both T2D and ccRCC by molecular docking and ADME/T analysis.

18 lation between the antimalarial efficacy and ADME profiles in the rank order trioxolane > trioxane >

19 new ozonides with antimalarial efficacy and ADME profiles superior or equal to that of arterolane we

20 conceptual workflow to examine exposure and ADME properties in relation to an MIE.

21 The incorporation of exposure and ADME properties into the conceptual workflow eliminated

22 Here, we disclose SAR investigation and ADME/PK optimization leading to the identification of in

23 te activity, physicochemical parameters, and ADME properties.

24 y optimization of the potency against Pf and ADME properties resulted in the identification of 12 as

25 The pharmacological and ADME profile of this corrector series hold promise for t

26 the inhibitory activity, physicochemical and ADME properties, metabolic stability, and in vivo PK par

27 inst MBL with acceptable physicochemical and ADME properties.

28 ion of pharmacological, physicochemical, and ADME properties of original lead 5a resulted in identifi

29 understanding of the biology-specific PK and ADME processes of antibody drug candidate proteins and r

30 imultaneous optimization of MC4R potency and ADME attributes while avoiding the production of hERG ac

31 Compound (R,R)-3 has improved potency and ADME properties (e.g., solubility and metabolic stabilit

32 Further optimization of potency and ADME properties led to the identification of ATX968, a p

33 Further optimization of potency and ADME properties led to the identification of RP-2119 wit

34 ng with optimization of cellular potency and ADME ultimately led to the identification of RP-6685: a

35 pound 51 exhibited good in vitro potency and ADME, which translated into a favorable in vivo pharmaco

36 r with its good physicochemical, safety, and ADME properties, led compound 28 to be selected as clini

37 sired functionality and good selectivity and ADME profiles.

38 tic improvements in potency, selectivity and ADME properties were made to this structure, resulting i

39 Based on overall potency, selectivity, and ADME profile, PF-06873600 (22) was identified as a candi

40 zation on binding affinity, selectivity, and ADME properties absent confounding factors.

41 nvolved modulating potency, selectivity, and ADME properties which led to the identification of the c

42 Besides good potency, selectivity, and ADME properties, compound 48 displayed robust in vivo ac

43 xcellent ROMK potency, hERG selectivity, and ADME properties, which led to the identification of comp

44 demonstrating target engagement in vivo and ADME-PK properties that are suitable for further evaluat

45 teps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretio

46 selectivity and cellular potency as well as ADME properties in view of administration by inhalation

47 containing drugs and accelerate (14)C-based ADME studies supporting drug development.

48 ining drugs and accelerate early (14)C-based ADME studies supporting drug development.

49 The new inhibitors showed beneficial ADME and pharmacokinetic profiles, and their binding mod

50 7 series, the trioxane isostere had the best ADME profile, but its overall antimalarial efficacy was

51 to have similar cytotoxic potency and better ADME characteristics relative to those of silvestrol.

52 ainst the alpha3 receptor subtype and better ADME profile.

53 Throughout this on-chip ADME process, the proposed device can be used as a relia

54 tes that were proposed earlier in a clinical ADME study.

55 Computational ADME (absorption, distribution, metabolism, and excretio

56 an ideal radioisotope with which to conduct ADME studies early in the drug development process.

57 possessed a balance of potency and desirable ADME profiles.

58 icted CNS drug-like properties and desirable ADME/PK profile.

59 EGFR and Src family kinases, (ii) desirable ADME, excellent in vivo pharmacodynamic in mice and effi

60 n, two candidates were selected for detailed ADME studies and in vitro and in vivo toxicological asse

61 mpound 2j showed a good balance of different ADME properties, high activity in cell-free assays, and

62 r cell proliferation assays and differential ADME properties when compared to other synthetic aurista

63 idic device was fabricated to mimic the drug ADME response test in vivo.

64 Pathways considered central to drug ADME might be particularly important for the body's atte

65 d to analogs with improved potency and early ADME properties.

66 The compound library was profiled for early ADME toxicity, and 2-amino- N-benzylbenzo[ d]thiazole-6-

67 o transporter inhibition assays in the early ADME profiling space in drug discovery.

68 ficiently incorporates the concept of early "ADME/Tox" considerations and provides a basic platform f

69 th in vitro screening, we investigated early-ADME parameters related to solubility and lipophilicity

70 n, distribution, metabolism and elimination (ADME) also regulate numerous endogenous molecules.

71 , distribution, metabolism, and elimination (ADME) and safety profiles.

72 , metabolism, distribution, and elimination (ADME) data analysis through the estimation of oral bioav

73 , distribution, metabolism, and elimination (ADME) of anthocyanin-rich foods are relatively unknown.

74 , distribution, metabolism, and elimination (ADME) properties and reduced toxicity in vitro, thus est

75 , distribution, metabolism, and elimination (ADME) screening.

76 n, distribution, metabolism and elimination (ADME).

77 tion, distribution, metabolism, elimination (ADME), and physiologically based pharmacokinetics (PBPK)

78 ib (RP-3500) with high potency and excellent ADME properties.

79 m this series was found to exhibit excellent ADME properties and superior therapeutic potential compa

80 itor that is CNS penetrant and has excellent ADME properties.

81 FT-2102 has excellent ADME/PK properties and reduces 2-hydroxyglutarate levels

82 tive PARP-1 inhibitor endowed with excellent ADME and pharmacokinetic profiles and high efficacy in v

83 on, distribution, metabolism, and excretion (ADME scheme) of administrated drug.

84 on, distribution, metabolism, and excretion (ADME) and pharmacokinetic properties, and efficacy in a

85 on, distribution, metabolism, and excretion (ADME) data showed relatively poor aqueous solubility.

86 ion, distribution, metabolism and excretion (ADME) of bioactive compounds.

87 ion, distribution, metabolism and excretion (ADME) of metabolites and toxic organic solutes are orche

88 ion, distribution, metabolism and excretion (ADME) of metabolites.

89 on, distribution, metabolism, and excretion (ADME) or molecular properties and ultimately may increas

90 on, distribution, metabolism, and excretion (ADME) parameters.

91 on, distribution, metabolism, and excretion (ADME) processes in fish can alter polychlorinated biphen

92 on, distribution, metabolism, and excretion (ADME) profile of the series were optimized resulting in

93 on, distribution, metabolism, and excretion (ADME) profile while being devoid of a peptidomimetic arc

94 on, distribution, metabolism, and excretion (ADME) profile.

95 on, distribution, metabolism, and excretion (ADME) profiles of drug candidates, in particular intesti

96 on, distribution, metabolism, and excretion (ADME) profiles were subjected to in vivo proof-of-concep

97 on, distribution, metabolism, and excretion (ADME) properties afforded a suitable compound for mouse

98 on, distribution, metabolism, and excretion (ADME) properties and potent in vivo antitumor activity.

99 on, distribution, metabolism, and excretion (ADME) properties are lacking.

100 on, distribution, metabolism, and excretion (ADME) properties in drugs and enables the preparation of

101 on, distribution, metabolism, and excretion (ADME) properties in vitro were found and no cytotoxicity

102 on, distribution, metabolism, and excretion (ADME) properties of 24 yielded a preclinical candidate 6

103 on, distribution, metabolism, and excretion (ADME) properties of chemicals.

104 on, distribution, metabolism, and excretion (ADME) properties of neutral imidazoles, we extended our

105 ion, distribution, metabolism and excretion (ADME) properties of these analogues reveals enhanced met

106 on, Distribution, Metabolism, and Excretion (ADME) properties to guide formulation development.

107 on, distribution, metabolism, and excretion (ADME) properties, and an improved pharmacokinetic profil

108 on, distribution, metabolism, and excretion (ADME) properties, further reflected in the enhanced phar

109 on, distribution, metabolism, and excretion (ADME) properties, which was progressed into proof-of-con

110 on, distribution, metabolism, and excretion (ADME) properties.

111 on, distribution, metabolism, and excretion (ADME) properties.

112 on, distribution, metabolism, and excretion (ADME) properties.

113 on, distribution, metabolism, and excretion (ADME) properties.

114 ion, distribution, metabolism and excretion (ADME) screening.

115 ion, distribution, metabolism and excretion (ADME) studies represent a fundamental step in the early

116 ion, distribution, metabolism and excretion (ADME) studies to late-stage human clinical trials--to el

117 on, distribution, metabolism, and excretion (ADME), and pharmacokinetic (PK) properties, as well as b

118 on, distribution, metabolism, and excretion (ADME), in vivo pharmacokinetic (PK) and hERG.

119 on, distribution, metabolism, and excretion (ADME), low propensity for p-glycoprotein 1-mediated effl

120 ion, distribution, metabolism and excretion (ADME), provide guidance for physically coupling MPS, and

121 on, distribution, metabolism, and excretion (ADME)-toxicity liabilities, new derivatives were synthes

122 on, distribution, metabolism, and excretion (ADME)/pharmacokinetic (PK) properties.

123 rption, distribution, metabolism, excretion (ADME) properties, and no or modest inhibition of several

124 rption, distribution, metabolism, excretion (ADME), and pharmacokinetics in rat.

125 oup of industrial in silico and experimental ADME scientists, participating in the In Silico ADME Wor

126 These findings, combined with a favorable ADME profile, have prompted clinical evaluation of dapag

127 13 shows a favorable ADME profile, including improved Caco-2 permeability and

128 These data, coupled with a favorable ADME profile, support the potential of 20g to be an effe

129 rely diabetic db/db mice and has a favorable ADME profile.

130 It exhibited a favorable ADME/PK profile, with 56% oral bioavailability, and demo

131 of five and had drug-likeness and favorable ADME properties for oral and transdermal administration.

132 esterase (CPY) enzymatic assay and favorable ADME properties, while also being more effective than Ma

133 their good in vitro potencies and favorable ADME properties.

134 ophilicity can be used to engineer favorable ADME properties into both rigid and flexible macrocyclic

135 hit compounds were potent and had favorable ADME properties but had poor microsomal and plasma stabi

136 ee energy perturbation, and highly favorable ADME properties.

137 ch pairs demonstrated overall more favorable ADME profiles than the phenyl counterpart.

138 s and cyclooxygenases, and possess favorable ADME properties.

139 ological in vitro testing revealed favorable ADME and pharmacological profiles for the best compound

140 ro GlyT-1 potency and selectivity, favorable ADME and in vitro pharmacological profiles, and suitable

141 ncy and selectivity in addition to favorable ADME properties.

142 blood assay and also shows a very favorable ADME profile leading to favorable predicted human pharma

143 To align improved potency with favorable ADME and in vitro safety, we applied prospective physico

144 tor for the treatment of TNBC with favorable ADME properties.

145 Established in vitro assays for ADME properties often struggle with compounds outside of

146 gets and their substrates is informative for ADME processes in humans and is relevant to basic scienc

147 constraints on the generated molecules from ADME restriction, localization in a binding site, specif

148 nanomolar antiferroptotic activity, and good ADME properties suitable for application in in vivo dise

149 induced liver steatosis in mice and has good ADME properties for further development.

150 binding values in ranges predictive of good ADME profiles.

151 vitro and in vivo evaluations revealed good ADME properties qualifying 14c as a pharmacological tool

152 d selective inhibitor of RORgammat with good ADME properties and excellent in vivo pharmacokinetics.

153 selective ITK inhibitor (GNE-9822) with good ADME properties in preclinical species.

154 t pharmacologically relevant doses with good ADME properties, and achieved >90% inhibition of BTK pho

155 rmine a baseline for a study group for human ADME and PBPK studies using (14)C as a tracer.

156 ((14)C) is an ideal tracer for in vivo human ADME (absorption, distribution, metabolism, elimination)

157 nked congeners with improved hysicochemical, ADME, and pharmacokinetic properties.

158 e to increase backbone diversity and improve ADME properties in cyclic peptide scaffolds.

159 Further optimization to improve ADME and physicochemical properties with guidance from s

160 warrants its further development to improve ADME properties.

161 al CNS off-target interactions, and improved ADME and pharmacokinetic properties, including a 22-fold

162 to 10 (BMS-695735), which exhibits improved ADME properties, a low risk for drug-drug interactions,

163 The improved ADME properties of this series led to robust in vivo com

164 performed to produce compounds with improved ADME properties.

165 uantities of seeds or exhibit differences in ADME or sensitivity than predicted by read-across from t

166 The identified genes are enriched in ADME-relevant tissues and cell types, and they reveal no

167 ation and organ tissues that are involved in ADME testing.

168 ance (MDR) in tumors as well as to influence ADME properties of drug candidates.

169 Initial ADME studies are suggestive of the promising properties

170 properties in complex biological media, (iv) ADME (absorption, distribution, metabolism and excretion

171 s the platform's potential for improving key ADME properties such as lipophilicity and cellular perme

172 Using the GLK network and known ADME genes, we built a tentative gut-liver-kidney "remot

173 nization of bioactive molecules impacts many ADME-relevant physicochemical properties, in particular,

174 ties for rapid and inexpensive assessment of ADME/Tox (absorption, distribution, metabolism, excretio

175 ified analogues with an excellent balance of ADME properties and potency; however, potential drug-dru

176 On the basis of ADME analysis, we describe herein a new series of tertia

177 The characterization of ADME properties is critical to tuning the pharmacokineti

178 e use of cocrystal structures, mitigation of ADME liabilities (plasma instability and fraction metabo

179 an be recommended for use in optimization of ADME parameters of lead compounds in drug discovery.

180 Parallel optimization of ADME properties led to the identification of potent and

181 ity relationships (SARs) and optimization of ADME properties resulted in the identification of clinic

182 al structures with IRAK4 and optimization of ADME properties to deliver clinical candidate PF-0665083

183 ion data confirmed ~60-70% of predictions of ADME gene regulation by these transcription factors.

184 s were characterized in assays predictive of ADME/T and pharmacokinetic (PK) properties, allowing the

185 In preparation of ADME and PBPK studies, 12 healthy subjects were recruite

186 rmacokinetic (PK) data; protein sequences of ADME-related molecular targets for pre-clinical model sp

187 sulfonamides reported herein may also offer ADME advantages over known heteroaryl sulfonamide inhibi

188 Both LLE and LELP have significant impact on ADME and safety profiles; however, LELP outperforms LLE

189 Analyzing their impact on ADME and safety properties and binding thermodynamics, w

190 volved biochemical, cell-based, and tier-one ADME techniques.

191 In addition, 19d displayed an optimal ADME and safety profile (e.g., no thrombus formation).

192 ification of VEGFR-2 inhibitors with optimal ADME properties for an ocular indication provides opport

193 it identification, hit-to-lead optimization, ADME profile evaluation, and the structure-activity rela

194 ctivity relationships (SARs) and to optimize ADME profiles.

195 Sub-optimal pharmaceutical or ADME profiles of drug candidates, which can often be a f

196 it PLK4 have been hampered by selectivity or ADME liabilities.

197 evaluated the metabolic stability and other ADME profiles of various bridged bicyclic systems, compa

198 solubility, plasma free fraction, and other ADME properties of 27 were improved by fine-tuning of li

199 c lung fibrosis models and excellent overall ADME (absorption, distribution, metabolism, excretion) p

200 highly selective ATM inhibitors with overall ADME properties suitable for oral administration.

201 n, metabolism and excretion/pharmacokinetic (ADME/PK) properties compared to DSM265 that support the

202 metabolism, excretion, and pharmacokinetics (ADME-PK) properties of new chemical entities are an inte

203 tion and characterize their physicochemical, ADME, and pharmacological properties and their prelimina

204 ) exhibited excellent potency and in vivo PK/ADME properties.

205 Most preclinical leads exhibit poor ADME/PK properties and require optimizing to increase th

206 ed that low oral bioavailability due to poor ADME properties.

207 ective Wee1 inhibitor with balanced potency, ADME, and pharmacokinetic properties.

208 ization efforts focused on in vitro potency, ADME, and pharmaceutical properties that led to the disc

209 ry activity in Caco-2 and its acceptable pre-ADME/Tox profile indicate it as a lead compound in this

210 s promising in vivo efficacy and preclinical ADME and safety profiles, 31 was advanced into human cli

211 The detailed preclinical ADME and pharmacology studies of 63 support further deve

212 The preclinical ADME properties of LY2562175 were consistent with enabli

213 Preliminary ADME studies indicated that some of the lead compounds a

214 Preliminary ADME-Tox data for the coumestans were promising and, cou

215 d through qualitative screening and previous ADME studies.

216 drug candidates with potentially problematic ADME profiles.

217 property evaluations suggested a reasonable ADME profile of 21.

218 eceptor (A2AAdoR) antagonist with reasonable ADME and pharmacokinetic properties.

219 nd rifampicin-induced expression of selected ADME genes.

220 Beyond potency and selectivity, ADME/PK and the toxicological profile of the compound pl

221 rofile, combining good potency, selectivity, ADME, and safety properties.

222 gy modeling methods, combined with in silico ADME calculations, were used to design analogues of comp

223 DNA/protein affinities, favorable in silico ADME profiles, and significant antiproliferative activit

224 E scientists, participating in the In Silico ADME Working Group, a subgroup of the International Cons

225 on how to initiate and maintain an in silico ADME-PK infrastructure in an industrial setting.

226 e benefits, caveats, and impact of in silico ADME-PK should serve as a resource for medicinal chemist

227 We propose a conceptual framework for siRNA ADME evaluation, contextualizing the site of biotransfor

228 bolites, making it possible to rapidly study ADME/PK in vivo without radiolabeling.

229 ly hits with moderate potency and suboptimal ADME properties led to the identification of several com

230 Subsequent ADME-PK optimization lead to 27, a predicted low clearan

231 n of a program lead compound with a suitable ADME/PK profile for therapeutic development.

232 though these compounds did not have suitable ADME properties to show in vivo efficacy in a mouse mode

233 ioavailability, hydrophilicity, and superior ADME properties with minimal toxicity, which support inc

234 oad-spectrum potency, central nervous system ADME, and a high degree of kinase selectivity.

235 The ADME properties of 3 are similar to 1; viz., the O-aceta

236 ctural modifications designed to address the ADME issues, in particular permeability, were initially

237 these extended backbone elements impact the ADME properties of these hybrid molecules, especially th

238 active food constituent and investigated the ADME of [2-(14)C](-)-epicatechin (300 muCi, 60 mg) in hu

239 We investigated the ADME of a (13)C5-labeled anthocyanin in humans.

240 A systematic assessment of the ADME and PK properties of the new analogues led to drugl

241 onal screen for generating components of the ADME profile in a drug discovery process.

242 In addition, preliminary data on their ADME (absorption, distribution, metabolism, and excretio

243 These ADME limitations have been addressed in an improved gene

244 This ADME profile met our selection criteria for once daily a

245 bution, Metabolism, Excretion, and Toxicity (ADME-Tox) profiling confirmed the safe use of these newl

246 bution, metabolism, excretion, and toxicity (ADME-Tox) studies also suggested favorable drug-like pro

247 stribution, metabolism, excretion, toxicity (ADME-Tox) profiles confirmed the favorable drug-like pot

248 compounds to compensate for the unfavorable ADME properties typically associated with complex molecu

249 medicinal chemistry optimization, and unique ADME assays of our irreversible covalent drug discovery

250 In vitro studies to determine various ADME properties combined with calculated TPSA, clogP, an

251 the bioavailability assessed through virtual ADME parameters (Absorption, Distribution, Metabolism, E

252 In vitro ADME and pharmacokinetic assessments revealed that the a

253 e, in particular, exhibited optimal in vitro ADME and pharmacokinetics properties and dose-dependentl

254 In vitro ADME as well as in vivo PK properties are reported.

255 In vitro ADME assays demonstrated that this novel chemotype posse

256 all molecule architecture on common in vitro ADME assays.

257 After in vitro ADME characterization, the scaffold advanced to in vivo

258 Furthermore, the in vitro ADME data clearly showed improvements in aqueous solubil

259 This model integrates existing in vitro ADME data, such as Caco-2 permeability (P(app)) and meta

260 ate human oral bioavailability from in vitro ADME data.

261 Despite in vitro ADME evaluations showing low permeability and high metab

262 ogical effects, as well as relevant in vitro ADME parameters for 3 revealed that the breitfussin scaf

263 ntified inhibitor shows a favorable in vitro ADME profile as well as good oral bioavailability in mic

264 nds possesses a generally favorable in vitro ADME profile, along with good exposure levels in plasma

265 Boronate 30 displays a promising in vitro ADME profile, including plasma and mouse microsomal half

266 The compound displayed a favorable in vitro ADME profile, with the exception of low membrane permeab

267 key mutant strains and for its good in vitro ADME profiles and in vivo target tissue (liver) exposure

268 fied lead candidates with favorable in vitro ADME profiles, and advanced a promising lead analog forw

269 cy criteria and displaying improved in vitro ADME profiles.

270 like molecules possessing favorable in vitro ADME profiles.

271 Using in vitro ADME profiling data, 9t was identified as possessing fav

272 In vitro ADME profiling of potent molecules identified BCL6-760 a

273 tors which also exhibited favorable in vitro ADME properties (microsomal and hepatocyte stability, MD

274 ral bioavailability and clearance), in vitro ADME properties (solubility, permeability, and efflux ra

275 Kalpha/zeta inhibitor with balanced in vitro ADME properties and favorable pharmacokinetic profiles.

276 4 d (BDM88951) displays favorable in vitro ADME properties and in vivo exposure.

277 Through the evaluation of opportune in vitro ADME properties, a potential candidate suitable for inha

278 The acid subtype (14) showed good in vitro ADME properties, except for poor permeability.

279 Compound 5 showed good in vitro ADME properties, good oral bioavailability in mouse, rat

280 3 and 38 from this series have good in vitro ADME properties, good oral bioavailability, and efficacy

281 The favorable potency, selectivity, in vitro ADME properties, in vivo PK, and dose-dependent inhibiti

282 within 8a, but retaining desirable in vitro ADME properties.

283 positive attributes with respect to in vitro ADME properties.

284 n combined with the high throughput in vitro ADME screening process, it has the potential to signific

285 Improvements in in vitro ADME tools and pharmacokinetic prediction models have he

286 o pharmacological, physicochemical, in vitro ADME, and in vivo pharmacokinetic studies in the rat and

287 The in vitro ADME-PK properties of the lead molecules were further op

288 wed potency and physicochemical and in vitro ADME-tox profiles comparable to propranolol.

289 In in vitro ADME-toxicity studies, compound 31 showed a safe cytotox

290 Additionally, we present the in vitro ADME/DMPK parameters for a subset of the inhibitors as w

291 ted, has a profound influence on the in vivo ADME characteristics, and has considerable implications

292 Efforts to improve the in vitro and in vivo ADME properties of 4 while maintaining JAK1 selectivity

293 ty, as well as improved in vitro and in vivo ADME properties.

294 ays in addition to good in vitro and in vivo ADME properties.

295 of our knowledge, this is the first in vivo ADME study of macrocyclic (acyloxy)alkoxy prodrugs, and

296 ent efforts are focused on improving in vivo ADME toward a preclinical covalent HDACi.

297 roperties as well as in in vitro and in vivo ADME using selected studies that compare spirocyclic com

298 veloped, which enable users to predict which ADME relevant protein targets a novel compound is likely

299 ude the interactions of small molecules with ADME (absorption, distribution, metabolism and excretion

300 llenges in balancing sufficient potency with ADME properties to support oral exposure.