Citation | McDaniel, KF; Wang, L; Soltwedel, T; Fidanze, SD; Hasvold, LA; Liu, D; Mantei, RA; Pratt, JK; Sheppard, GS; Bui, MH; Faivre, EJ; Huang, X; Li, L; Lin, X; Wang, R; Warder, SE; Wilcox, D; Albert, DH; Magoc, TJ; Rajaraman, G; Park, CH; Hutchins, CW; Shen, JJ; Edalji, RP; Sun, CC; Martin, R; Gao, W; Wong, S; Fang, G; Elmore, SW; Shen, Y; Kati, WM Discovery of N-(4-(2,4-Difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl)ethanesulfonamide (ABBV-075/Mivebresib), a Potent and Orally Available Bromodomain and Extraterminal Domain (BET) Family Bromodomain Inhibitor. J Med Chem60:8369-8384 (2017) [PubMed] Article |
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SMILES | CCS(=O)(=O)Nc1ccc(OC2CCC(CC2)N(C)C)c(c1)-c1cn(C)c(=O)c2[nH]ccc12 |(2.37,-37.72,;3.71,-38.49,;5.04,-37.72,;4.26,-36.38,;5.8,-36.38,;6.38,-38.49,;7.7,-37.73,;9.04,-38.5,;10.38,-37.73,;10.37,-36.18,;11.7,-35.4,;13.04,-36.17,;13.04,-37.7,;14.37,-38.46,;15.71,-37.7,;15.71,-36.16,;14.37,-35.38,;17.04,-38.46,;17.04,-40,;18.37,-37.7,;9.04,-35.41,;7.71,-36.18,;9.02,-33.87,;7.69,-33.11,;7.69,-31.57,;6.36,-30.79,;9.03,-30.79,;9.03,-29.25,;10.36,-31.57,;11.82,-31.1,;12.71,-32.34,;11.8,-33.58,;10.35,-33.1,)| |