Ketcher 04212013552D 1 1.00000 0.00000 0 24 27 0 1 0 999 V2000 7.7427 -10.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7427 -11.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8787 -10.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8787 -12.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0148 -10.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0148 -11.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8787 -9.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6544 -13.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5183 -13.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7904 -13.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5181 -12.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7903 -12.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6542 -11.7504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9263 -11.7505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9262 -10.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0624 -12.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0622 -10.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1984 -11.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1984 -10.7532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3345 -10.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4705 -10.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6066 -10.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6066 -9.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9468 -11.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 2 4 2 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 2 0 0 0 3 7 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 11 2 0 0 0 10 12 1 0 0 0 11 13 1 0 0 0 12 13 2 0 0 0 12 14 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 19 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 20 19 1 0 0 0 22 1 1 0 0 0 18 24 1 1 0 0 15 24 1 1 0 0 M END > CHEBI:149519 > PFI-3 > An azabicycloalkane that is (1R,4R)-2,5-diazabicyclo[2.2.1]heptane which is substituted at position 2 by a 3-(2-hydroxyphenyl)-3-oxoprop-1-en-1-yl group and at position 5 by a pyridin-2-yl group. It is a potent and selective inhibitor of polybromo 1 (Kd = 48 nM), SMARCA2 and SMARCA4 (Kd = 89 nM) bromodomains. > 3 > PFI3; PFI 3; PF-6687252; (E)-1-(2-Hydroxyphenyl)-3-((1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-one; (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(2-pyridinyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]-2-propen-1-one > (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one > C19H19N3O2 > 321.380 > 321.14773 > 0 > C=1(C=CC=CC1O)C(\C=C\N2C[C@@H]3N(C=4C=CC=CN4)C[C@H]2C3)=O > InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1 > INAICWLVUAKEPB-QSTFCLMHSA-N > 1819363-80-8 > 5BW > 26139243; 26702435; 27115555; 27422367 $$$$