Therapeutic Targets Database
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TTD Drug ID: DNC009330

Drug Information
NameKNI-10538
IndicationNot AvailableExperimental    
Structure

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InChI1S/C41H47N5O6S/c1-25-18-30(43-22-29-15-10-11-17-42-29)19-26(2)37(
25)52-23-34(48)44-32(20-27-12-6-5-7-13-27)36(49)40(51)46-24-53-41
(3,4)38(46)39(50)45-35-31-16-9-8-14-28(31)21-33(35)47/h5-19,32-33
,35-36,38,43,47,49H,20-24H2,1-4H3,(H,44,48)(H,45,50)/t32-,33+,35-
,36-,38+/m0/s1
InChIKeyIEOXTIHUYRYEJG-CTRNRRKFSA-N
Canonical SMILESCC1=CC(=CC(=C1OCC(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3C(=O)NC4C(CC5=CC=CC=
C45)O)(C)C)O)C)NCC6=CC=CC=N6    
Isomeric SMILESCC1=CC(=CC(=C1OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N
[C@@H]4[C@@H](CC5=CC=CC=C45)O)(C)C)O)C)NCC6=CC=CC=N6
TargetPlasmepsin 2Inhibitor[1]
Ref 1Bioorg Med Chem Lett. 2010 Aug 15;20(16):4836-9. Epub 2010 Jun 25.Improvement of both plasmepsin inhibitory activity and antimalarial activity by 2-aminoethylamino substitution. To Reference



 

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