Drug General Information
Drug ID
D0O0EA
Former ID
DNC009313
Drug Name
KNI-10087
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529771]
Structure
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2D MOL

3D MOL

Formula
C33H38N4O6S
Canonical SMILES
CC1(C(N(CS1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)COC3=CC=CC(=C3)<br />N)O)C(=O)NC4C(CC5=CC=CC=C45)O)C
InChI
1S/C33H38N4O6S/c1-33(2)30(31(41)36-28-24-14-7-6-11-21(24)16-26(28)38)37(19-44-33)32(42)29(40)25(15-20-9-4-3-5-10-20)35-27(39)18-43-23-13-8-12-22(34)17-23/h3-14,17,25-26,28-30,38,40H,15-16,18-19,34H2,1-2H3,(H,35,39)(H,36,41)/t25-,26+,28-,29-,30+/m0/s1
InChIKey
LQEMUNLLUUKMPD-DOWNBTJOSA-N
PubChem Compound ID
Target and Pathway
Target(s) Plasmepsin 2 Target Info Inhibitor [529771]
References
Ref 529771Bioorg Med Chem. 2008 Dec 1;16(23):10049-60. Epub 2008 Oct 10.Antimalarial activity enhancement in hydroxymethylcarbonyl (HMC) isostere-based dipeptidomimetics targeting malarial aspartic protease plasmepsin.
Ref 529771Bioorg Med Chem. 2008 Dec 1;16(23):10049-60. Epub 2008 Oct 10.Antimalarial activity enhancement in hydroxymethylcarbonyl (HMC) isostere-based dipeptidomimetics targeting malarial aspartic protease plasmepsin.

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