Drug General Information
Drug ID
D0S3BO
Former ID
DNC007478
Drug Name
KNI-10006
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530280]
Structure
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2D MOL

3D MOL

Formula
C35H41N3O6S
Canonical SMILES
CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3<br />C(=O)NC4C(CC5=CC=CC=C45)O)(C)C)O
InChI
1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1
InChIKey
KKTYZYHUPKXLPL-RIQJEONASA-N
PubChem Compound ID
Target and Pathway
Target(s) Plasmepsin 1 Target Info Inhibitor [530280]
Cathepsin D Target Info Inhibitor [530280]
Plasmepsin 2 Target Info Inhibitor [531036]
BioCyc Pathway Thyroid hormone biosynthesis
KEGG Pathway Sphingolipid signaling pathway
Lysosome
Tuberculosis
NetPath Pathway IL2 Signaling Pathway
Pathway Interaction Database LKB1 signaling events
Ceramide signaling pathway
Direct p53 effectors
Validated nuclear estrogen receptor alpha network
Reactome Collagen degradation
Metabolism of Angiotensinogen to Angiotensins
MHC class II antigen presentation
References
Ref 530280Bioorg Med Chem. 2009 Aug 15;17(16):5933-49. Epub 2009 Jul 3.alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.
Ref 530280Bioorg Med Chem. 2009 Aug 15;17(16):5933-49. Epub 2009 Jul 3.alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.
Ref 531036Bioorg Med Chem Lett. 2010 Aug 15;20(16):4836-9. Epub 2010 Jun 25.Improvement of both plasmepsin inhibitory activity and antimalarial activity by 2-aminoethylamino substitution.

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