Citation | Zak, M; Hurley, CA; Ward, SI; Bergeron, P; Barrett, K; Balazs, M; Blair, WS; Bull, R; Chakravarty, P; Chang, C; Crackett, P; Deshmukh, G; DeVoss, J; Dragovich, PS; Eigenbrot, C; Ellwood, C; Gaines, S; Ghilardi, N; Gibbons, P; Gradl, S; Gribling, P; Hamman, C; Harstad, E; Hewitt, P; Johnson, A; Johnson, T; Kenny, JR; Koehler, MF; Bir Kohli, P; Labadie, S; Lee, WP; Liao, J; Liimatta, M; Mendonca, R; Narukulla, R; Pulk, R; Reeve, A; Savage, S; Shia, S; Steffek, M; Ubhayakar, S; van Abbema, A; Aliagas, I; Avitabile-Woo, B; Xiao, Y; Yang, J; Kulagowski, JJ Identification of C-2 hydroxyethyl imidazopyrrolopyridines as potent JAK1 inhibitors with favorable physicochemical properties and high selectivity over JAK2. J Med Chem56:4764-85 (2013) [PubMed] Article |
---|
SMILES | C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](O)CC1 |r,wU:18.21,wD:15.17,1.1,(35.85,-36.74,;35.09,-38.07,;33.55,-38.09,;35.87,-39.4,;35.26,-40.81,;36.41,-41.82,;36.41,-43.36,;37.74,-44.13,;39.07,-43.36,;40.54,-43.83,;41.44,-42.59,;40.54,-41.34,;39.07,-41.82,;37.73,-41.05,;37.4,-39.55,;38.47,-38.45,;39.96,-38.83,;41.03,-37.73,;40.62,-36.25,;41.69,-35.15,;39.12,-35.87,;38.04,-36.97,)| |