Designing around Structural Alerts in Drug Discovery.
Kalgutkar AS.
J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/acs.jmedchem.9b00917 PUBLIKATIONSREGISTRET
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Publikationer i urvalet
20 träffarReductions in log P improved protein binding and clearance predictions enabling the prospective design of cannabinoid receptor (CB1) antagonists with desired pharmacokinetic properties.
Ellsworth BA, Sher PM, Wu X, Wu G, Sulsky RB, Gu Z, Murugesan N, Zhu Y, Yu G, Sitkoff DF, Carlson KE, Kang L, Yang Y, Lee N, Baska RA, Keim WJ, Cullen MJ, Azzara AV, Zuvich E, Thomas MA, Rohrbach KW, Devenny JJ, Godonis HE, Harvey SJ, Murphy BJ, Everlof GG, Stetsko PI, Gudmundsson O, Johnghar S, Ranasinghe A, Behnia K, Pelleymounter MA, Ewing WR.
J Med Chem · journal article · DOI 10.1021/jm4010835Peripherally restricted CB1 receptor blockers.
Chorvat RJ.
Bioorg Med Chem Lett · review; journal article · DOI 10.1016/j.bmcl.2013.06.066Which metabolites circulate?
Loi CM, Smith DA, Dalvie D.
Drug Metab Dispos · journal article · DOI 10.1124/dmd.112.050278Structure-activity relationship studies of novel pyrazole and imidazole carboxamides as cannabinoid-1 (CB1) antagonists.
Sasmal PK, Talwar R, Swetha J, Balasubrahmanyam D, Venkatesham B, Rawoof KA, Neelima Devi B, Jadhav VP, Khan SK, Mohan P, Srinivasa Reddy D, Nyavanandi VK, Nanduri S, Kyasa SK, Kannan M, Srinivas P, Nadipalli P, Chaudhury H, Sebastian VJ.
Bioorg Med Chem Lett · research support, non-u.s. gov't; journal article · DOI 10.1016/j.bmcl.2011.06.017Discovery of 2-(4-((1H-1,2,4-triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-1H-pyrazol-3-yl)-5-tert-butyl-1,3,4-thiadiazole (GCC2680) as a potent, selective and orally efficacious cannabinoid-1 receptor antagonist.
Lee J, Seo HJ, Lee SH, Kim J, Jung ME, Lee SH, Song KS, Lee J, Kang SY, Kim MJ, Kim MS, Son EJ, Lee M, Han HK.
Bioorg Med Chem · journal article · DOI 10.1016/j.bmc.2010.07.013Synthesis and cannabinoid-1 receptor binding affinity of conformationally constrained analogs of taranabant.
Kopka IE, Lin LS, Jewell JP, Lanza TJ, Fong TM, Shen CP, Lao ZJ, Ha S, Castonguay LG, Van der Ploeg L, Goulet MT, Hagmann WK.
Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2010.06.127Discovery of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (MK-5596) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity.
Yan L, Huo P, Debenham JS, Madsen-Duggan CB, Lao J, Chen RZ, Xiao JC, Shen CP, Stribling DS, Shearman LP, Strack AM, Tsou N, Ball RG, Wang J, Tong X, Bateman TJ, Reddy VB, Fong TM, Hale JJ.
J Med Chem · journal article · DOI 10.1021/jm100023jDihydro-pyrano[2,3-b]pyridines and tetrahydro-1,8-naphthyridines as CB1 receptor inverse agonists: synthesis, SAR and biological evaluation.
Madsen-Duggan CB, Debenham JS, Walsh TF, Yan L, Huo P, Wang J, Tong X, Lao J, Fong TM, Xiao JC, Huang CR, Shen CP, Stribling DS, Shearman LP, Strack AM, Goulet MT, Hale JJ.
Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2010.04.071Furo[2,3-b]pyridine-based cannabinoid-1 receptor inverse agonists: synthesis and biological evaluation. Part 1.
Debenham JS, Madsen-Duggan CB, Toupence RB, Walsh TF, Wang J, Tong X, Kumar S, Lao J, Fong TM, Xiao JC, Huang CR, Shen CP, Feng Y, Marsh DJ, Stribling DS, Shearman LP, Strack AM, Goulet MT.
Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2009.12.065Synthesis and evaluation of N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-aminopropanamide as human cannabinoid-1 receptor (CB1R) inverse agonists.
Du W, Jewell JP, Lin LS, Colandrea VJ, Xiao JC, Lao J, Shen CP, Bateman TJ, Reddy VB, Ha SN, Shah SK, Fong TM, Hale JJ, Hagmann WK.
Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2009.07.046Chemical and biological investigation of cyclopropyl containing diaryl-pyrazole-3-carboxamides as novel and potent cannabinoid type 1 receptor antagonists.
Szabó G, Varga B, Páyer-Lengyel D, Szemzo A, Erdélyi P, Vukics K, Szikra J, Hegyi E, Vastag M, Kiss B, Laszy J, Gyertyán I, Fischer J.
J Med Chem · journal article · DOI 10.1021/jm900179yDiscovery and functional evaluation of diverse novel human CB(1) receptor ligands.
Foloppe N, Benwell K, Brooks TD, Kennett G, Knight AR, Misra A, Monck NJ.
Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2009.05.114Pyridopyrimidine based cannabinoid-1 receptor inverse agonists: Synthesis and biological evaluation.
Debenham JS, Madsen-Duggan CB, Wang J, Tong X, Lao J, Fong TM, Schaeffer MT, Xiao JC, Huang CC, Shen CP, Sloan Stribling D, Shearman LP, Strack AM, Euan Macintyre D, Hale JJ, Walsh TF.
Bioorg Med Chem Lett · journal article · DOI 10.1016/j.bmcl.2009.03.005Biarylpyrazolyl oxadiazole as potent, selective, orally bioavailable cannabinoid-1 receptor antagonists for the treatment of obesity.
Lee SH, Seo HJ, Lee SH, Jung ME, Park JH, Park HJ, Yoo J, Yun H, Na J, Kang SY, Song KS, Kim MA, Chang CH, Kim J, Lee J.
J Med Chem · research support, non-u.s. gov't; journal article · DOI 10.1021/jm800843rThe many roles for fluorine in medicinal chemistry.
Hagmann WK.
J Med Chem · journal article · DOI 10.1021/jm800219fBenzodioxoles: novel cannabinoid-1 receptor inverse agonists for the treatment of obesity.
Alig L, Alsenz J, Andjelkovic M, Bendels S, Bénardeau A, Bleicher K, Bourson A, David-Pierson P, Guba W, Hildbrand S, Kube D, Lübbers T, Mayweg AV, Narquizian R, Neidhart W, Nettekoven M, Plancher JM, Rocha C, Rogers-Evans M, Röver S, Schneider G, Taylor S, Waldmeier P.
J Med Chem · journal article · DOI 10.1021/jm701487tConformational analysis and receptor docking of N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide (taranabant, MK-0364), a novel, acyclic cannabinoid-1 receptor inverse agonist.
Lin LS, Ha S, Ball RG, Tsou NN, Castonguay LA, Doss GA, Fong TM, Shen CP, Xiao JC, Goulet MT, Hagmann WK.
J Med Chem · journal article · DOI 10.1021/jm7014974Discovery of N-{(1S,2S)-2-(3-cyanophenyl)- 3-[4-(2-[18F]fluoroethoxy)phenyl]-1-methylpropyl}- 2-methyl-2-[(5-methylpyridin-2-yl)oxy]propanamide, a cannabinoid-1 receptor positron emission tomography tracer suitable for clinical use.
Liu P, Lin LS, Hamill TG, Jewell JP, Lanza TJ, Gibson RE, Krause SM, Ryan C, Eng W, Sanabria S, Tong X, Wang J, Levorse DA, Owens KA, Fong TM, Shen CP, Lao J, Kumar S, Yin W, Payack JF, Springfield SA, Hargreaves R, Burns HD, Goulet MT, Hagmann WK.
J Med Chem · journal article · DOI 10.1021/jm070131bDiscovery of N-[(1S,2S)-3-(4-Chlorophenyl)-2- (3-cyanophenyl)-1-methylpropyl]-2-methyl-2- {[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide (MK-0364), a novel, acyclic cannabinoid-1 receptor inverse agonist for the treatment of obesity.
Lin LS, Lanza TJ, Jewell JP, Liu P, Shah SK, Qi H, Tong X, Wang J, Xu SS, Fong TM, Shen CP, Lao J, Xiao JC, Shearman LP, Stribling DS, Rosko K, Strack A, Marsh DJ, Feng Y, Kumar S, Samuel K, Yin W, Van der Ploeg LH, Goulet MT, Hagmann WK.
J Med Chem · journal article · DOI 10.1021/jm060996+