Therapeutic Targets Database
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TTD Drug ID: DNC007743

Drug Information
NameKMI-494
IndicationNot AvailableExperimental    
Structure

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InChI1S/C39H49N7O10/c1-20(2)13-30(35(50)44-29(14-22-9-6-5-7-10-22)32(4
7)37(52)43-27-12-8-11-23(18-27)38(53)54)45-36(51)31(21(3)4)46-34(
49)28(41)19-42-33(48)24-15-25(39(55)56)17-26(40)16-24/h5-12,15-18
,20-21,28-32,47H,13-14,19,40-41H2,1-4H3,(H,42,48)(H,43,52)(H,44,5
0)(H,45,51)(H,46,49)(H,53,54)(H,55,56)/t28-,29-,30-,31-,32+/m0/s1
InChIKeyHJXHSIMUTPLJNT-QEUNAIBPSA-N
Canonical SMILESCC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(C(=O)NC2=CC=CC(=C2)C(=O)O)O)NC(=O)C(C(C)
C)NC(=O)C(CNC(=O)C3=CC(=CC(=C3)N)C(=O)O)N    
Isomeric SMILESCC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC=CC(=C2)C(=O)O)
O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)C3=CC(=CC(=C3)N)C(=O)O)N
TargetBeta-secretase 1Inhibitor[1]
Ref 1Bioorg Med Chem Lett. 2007 Mar 15;17(6):1629-33. Epub 2007 Jan 8.Design and synthesis of BACE1 inhibitors containing a novel norstatine derivative (2R,3R)-3-amino-2-hydroxy-4-(phenylthio)butyric acid. To Reference



 

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