Therapeutic Targets Database
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TTD Drug ID: DNC008062

Drug Information
NameFR-901451
IndicationNot AvailableExperimental    
Structure

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InChI1S/C61H81N13O18/c1-30(2)23-39-53(81)65-37-17-10-11-21-63-46(76)27
-43(61(89)90)71-55(83)41-28-48(78)91-29-44(72-57(85)45-18-12-22-7
4(45)60(88)42(70-51(37)79)24-33-13-6-5-7-14-33)56(84)66-38(19-20-
47(77)92-32(4)50(59(87)69-39)73-58(86)49(62)31(3)75)52(80)67-40(5
4(82)68-41)26-35-25-34-15-8-9-16-36(34)64-35/h5-9,13-16,25,30-32,
37-45,49-50,64,75H,10-12,17-24,26-29,62H2,1-4H3,(H,63,76)(H,65,81
)(H,66,84)(H,67,80)(H,68,82)(H,69,87)(H,70,79)(H,71,83)(H,72,85)(
H,73,86)(H,89,90)/t31-,32+,37+,38+,39+,40+,41+,42+,43+,44+,45+,49
+,50+/m1/s1
InChIKeyOBJRDBYSSAEARM-WSFPPIIISA-N
Canonical SMILESCC1C(C(=O)NC(C(=O)NC2CCCCNC(=O)CC(NC(=O)C3CC(=O)OCC(C(=O)NC(CCC(=O)O1)C
(=O)NC(C(=O)N3)CC4=CC5=CC=CC=C5N4)NC(=O)C6CCCN6C(=O)C(NC2=O)CC7=CC=CC=
C7)C(=O)O)CC(C)C)NC(=O)C(C(C)O)N    
Isomeric SMILESC[C@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)C[C@H](NC(=O)[C@@H]3CC(=
O)OC[C@@H](C(=O)N[C@@H](CCC(=O)O1)C(=O)N[C@H](C(=O)N3)CC4=CC5=CC=CC=
C5N4)NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC2=O)CC7=CC=CC=C7)C(=O)O)CC(C)C)NC(=
O)[C@H]([C@@H](C)O)N
TargetLeukocyte elastaseInhibitor[1]
Ref 1Bioorg Med Chem. 2007 Jul 1;15(13):4618-28. Epub 2007 Apr 3.Resisting degradation by human elastase: commonality of design features shared by 'canonical' plant and bacterial macrocyclic protease inhibitor scaffolds. To Reference



 

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