Ketcher 08072309362D 1 1.00000 0.00000 0 29 33 0 1 0 999 V2000 8.4805 -6.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 -7.5241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6144 -6.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6144 -8.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7484 -6.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7484 -7.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6143 -9.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3464 -6.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2124 -6.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3464 -8.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2124 -7.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2124 -5.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0784 -7.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0785 -6.0242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9445 -5.5243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8105 -6.0243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6766 -5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7812 -4.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5901 -5.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7593 -4.3220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2593 -5.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8991 -6.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8774 -7.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2375 -5.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5466 -6.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0381 -3.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2460 -2.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0870 -4.1696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5030 -2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 2 0 0 0 4 7 2 0 0 0 1 8 1 0 0 0 1 2 1 0 0 0 8 9 1 6 0 0 2 10 1 0 0 0 11 9 1 6 0 0 10 11 1 0 0 0 8 12 1 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 20 21 1 0 0 0 19 22 1 0 0 0 19 21 2 0 0 0 22 23 2 0 0 0 21 24 1 0 0 0 23 25 1 0 0 0 24 25 2 0 0 0 18 26 1 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 27 29 1 0 0 0 M END > CHEBI:195528 > NPD6433 > An indolyl carboxylate ester that is 1H-indole substituted by methoxycarbonyl and (E)-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)diazenyl groups at positions 2 and 3, respectively. It targets the enoyl reductase domain of fungal fatty acid synthase, exhibits broad-spectrum antifungal activity, is bioactive against the filamentous mold, Aspergillus fumigatus and has minimal mammalian cytotoxicity. > 3 > methyl 3-[(E)-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)diazenyl]-1H-indole-2-carboxylate > C21H21N5O3 > 391.431 > 391.16444 > 0 > COC(=O)C1=C(\N=N\N2CC3C[C@H](C2)C2=CC=CC(=O)N2C3)C2=C(N1)C=CC=C2 > InChI=1S/C21H21N5O3/c1-29-21(28)20-19(15-5-2-3-6-16(15)22-20)23-24-25-10-13-9-14(12-25)17-7-4-8-18(27)26(17)11-13/h2-8,13-14,22H,9-12H2,1H3/b24-23+ > IXWNPEOFLGJGLY-WCWDXBQESA-N > 37369212 $$$$