Ketcher 03042216312D 1 1.00000 0.00000 0 40 44 0 0 0 999 V2000 17.4925 -12.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4925 -13.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6264 -12.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6264 -14.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7604 -12.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7604 -13.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4435 -12.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0313 -13.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4436 -14.2548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0313 -13.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8944 -12.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0284 -12.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0284 -13.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1623 -12.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1623 -14.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2963 -12.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2963 -13.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8944 -14.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4303 -12.4457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5643 -12.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6982 -12.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5642 -13.9457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8322 -12.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6982 -11.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9661 -12.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8322 -10.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9661 -11.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8322 -9.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1002 -10.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2341 -11.4455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 -12.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 -10.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 -12.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -11.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5019 -12.4454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6359 -12.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7699 -12.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9662 -9.4457 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6982 -9.4457 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8322 -8.9457 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 2 0 0 0 4 6 2 0 0 0 5 6 1 0 0 0 1 7 1 0 0 0 1 2 2 0 0 0 7 8 1 0 0 0 2 9 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 5 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 12 14 2 0 0 0 13 15 2 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 17 2 0 0 0 13 18 1 0 0 0 16 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 20 22 2 0 0 0 21 23 1 0 0 0 21 24 2 0 0 0 23 25 2 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 27 2 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 30 32 1 0 0 0 31 33 1 0 0 0 32 34 1 0 0 0 33 35 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 28 38 1 0 0 0 28 39 1 0 0 0 28 40 1 0 0 0 M END > CHEBI:189867 > DDR1-IN-1 > A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid with the amino group of 5-(5-amino-2-methylphenoxy)-1,3-dihydro-2H-indol-2-one. It is a potent inhibitor of discoidin domain receptor tyrosine kinase 1 and 2 (DDR1/2) with IC50 = 105 nM and 413 nM, respectively. > 3 > N-[3-[(2,3-dihydro-2-oxo-1H-indol-5-yl)oxy]-4-methylphenyl]-4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)benzamide; 4-((4-ethylpiperazin-1-yl)methyl)-N-(4-methyl-3-(2-oxoindolin-5-yloxy)phenyl)-3-(trifluoromethyl)benzamide > 4-[(4-ethylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(2-oxo-2,3-dihydro-1H-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide > C30H31F3N4O3 > 552.598 > 552.23483 > 0 > CCN1CCN(CC2=C(C=C(C=C2)C(=O)NC2=CC=C(C)C(OC3=CC4=C(NC(=O)C4)C=C3)=C2)C(F)(F)F)CC1 > InChI=1S/C30H31F3N4O3/c1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26/h4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38) > AOZPVMOOEJAZGK-UHFFFAOYSA-N > 1449685-96-4 > DI1 > 23899692; 24768818; 25569119; 29170554; 30783426; 31271515; 33110221 $$$$