Drug General Information
Drug ID
D01YNC
Former ID
DNC005907
Drug Name
N-(tert-butoxycarbonyl)-isoleucyl-glycine-nitrile
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527885]
Structure
Download
2D MOL

3D MOL

Formula
C13H23N3O3
Canonical SMILES
CCC(C)C(C(=O)NCC#N)NC(=O)OC(C)(C)C
InChI
1S/C13H23N3O3/c1-6-9(2)10(11(17)15-8-7-14)16-12(18)19-13(3,4)5/h9-10H,6,8H2,1-5H3,(H,15,17)(H,16,18)/t9-,10+/m1/s1
InChIKey
HNTBSHVGXMFKKB-ZJUUUORDSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cathepsin K Target Info Inhibitor [527885]
Cathepsin S Target Info Inhibitor [527885]
Cathepsin L Target Info Inhibitor [527885]
KEGG Pathway Lysosome
Osteoclast differentiation
Toll-like receptor signaling pathway
Rheumatoid arthritishsa04142:Lysosome
Phagosome
Antigen processing and presentation
Tuberculosishsa04142:Lysosome
Proteoglycans in cancer
Rheumatoid arthritis
NetPath Pathway TGF_beta_Receptor Signaling Pathway
RANKL Signaling Pathway
IL2 Signaling PathwayNetPath_22:Leptin Signaling Pathway
IL2 Signaling PathwayNetPath_16:IL4 Signaling Pathway
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Trafficking and processing of endosomal TLR
MHC class II antigen presentationR-HSA-1236977:Endosomal/Vacuolar pathway
Assembly of collagen fibrils and other multimeric structures
MHC class II antigen presentation
WikiPathways RANKL/RANK Signaling Pathway
Osteoclast SignalingWP2796:Class I MHC mediated antigen processing & presentation
Trafficking and processing of endosomal TLRWP2572:Primary Focal Segmental Glomerulosclerosis FSGS
References
Ref 527885J Med Chem. 2005 Dec 1;48(24):7688-707.Interaction of papain-like cysteine proteases with dipeptide-derived nitriles.
Ref 527885J Med Chem. 2005 Dec 1;48(24):7688-707.Interaction of papain-like cysteine proteases with dipeptide-derived nitriles.

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