Drug General Information
Drug ID
D0G6SP
Former ID
DNC009327
Drug Name
KNI-10529
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529771]
Structure
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2D MOL

3D MOL

Formula
C37H46N4O6S
Canonical SMILES
CCNC1=CC(=C(C(=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC<br />(C3C(=O)NC4C(CC5=CC=CC=C45)O)(C)C)O)C
InChI
1S/C37H46N4O6S/c1-6-38-26-16-22(2)33(23(3)17-26)47-20-30(43)39-28(18-24-12-8-7-9-13-24)32(44)36(46)41-21-48-37(4,5)34(41)35(45)40-31-27-15-11-10-14-25(27)19-29(31)42/h7-17,28-29,31-32,34,38,42,44H,6,18-21H2,1-5H3,(H,39,43)(H,40,45)/t28-,29+,31-,32-,34+/m0/s1
InChIKey
MWCQAFKRDJYAQP-ZYOXRPPDSA-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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