Drug Information

Drug General Information
Drug ID
D00LZS
Former ID
DNC007742
Drug Name
KMI-538
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528637]
Formula
C39H49N7O10S
Canonical SMILES
CC(C)CC(C(=O)NC(CSC1=CC=CC=C1)C(C(=O)NC2=CC=CC(=C2)C(=O<br />)O)O)NC(=O)C(C(C)C)NC(=O)C(CNC(=O)C3=CC(=CC(=C3)N)C(=O)<br />O)N
InChI
1S/C39H49N7O10S/c1-20(2)13-29(44-36(51)31(21(3)4)46-34(49)28(41)18-42-33(48)23-14-24(39(55)56)16-25(40)15-23)35(50)45-30(19-57-27-11-6-5-7-12-27)32(47)37(52)43-26-10-8-9-22(17-26)38(53)54/h5-12,14-17,20-21,28-32,47H,13,18-19,40-41H2,1-4H3,(H,42,48)(H,43,52)(H,44,51)(H,45,50)(H,46,49)(H,53,54)(H,55,56)/t28-,29-,30-,31-,32+/m0/s1
InChIKey
DFWUMZBCWONAOR-QEUNAIBPSA-N
PubChem Compound ID
16725937
Target and Pathway
Target(s) Beta-secretase Target Info Inhibitor [528637]
References
Ref 528637Bioorg 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.
Ref 528637Bioorg 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.

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