Drug Information

Drug General Information
Drug ID
D0M4IR
Former ID
DNC007743
Drug Name
KMI-494
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528637]
Structure
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2D MOL

3D MOL
Formula
C39H49N7O10
Canonical SMILES
CC(C)CC(C(=O)NC(CC1=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)O<br />)N
InChI
1S/C39H49N7O10/c1-20(2)13-30(35(50)44-29(14-22-9-6-5-7-10-22)32(47)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,44,50)(H,45,51)(H,46,49)(H,53,54)(H,55,56)/t28-,29-,30-,31-,32+/m0/s1
InChIKey
HJXHSIMUTPLJNT-QEUNAIBPSA-N
PubChem Compound ID
44431065
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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