Drug General Information
Drug ID
D0A7ER
Former ID
DNC005904
Drug Name
N-(tert-butoxycarbonyl)-norvalyl-glycine-nitrile
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527885]
Structure
Download
2D MOL

3D MOL

Formula
C12H21N3O3
Canonical SMILES
CCCC(C(=O)NCC#N)NC(=O)OC(C)(C)C
InChI
1S/C12H21N3O3/c1-5-6-9(10(16)14-8-7-13)15-11(17)18-12(2,3)4/h9H,5-6,8H2,1-4H3,(H,14,16)(H,15,17)/t9-/m0/s1
InChIKey
PBHMIOPVNIIFHR-VIFPVBQESA-N
PubChem Compound ID
Target and Pathway
Target(s) Cathepsin S Target Info Inhibitor [527885]
Cathepsin K Target Info Inhibitor [527885]
KEGG Pathway Lysosome
Phagosome
Antigen processing and presentation
Tuberculosishsa04142:Lysosome
Osteoclast differentiation
Toll-like receptor signaling pathway
Rheumatoid arthritis
NetPath Pathway Leptin Signaling Pathway
IL2 Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling Pathway
RANKL Signaling Pathway
IL2 Signaling Pathway
Reactome Endosomal/Vacuolar pathway
Degradation of the extracellular matrix
Trafficking and processing of endosomal TLR
Assembly of collagen fibrils and other multimeric structures
MHC class II antigen presentationR-HSA-1442490:Collagen degradation
Activation of Matrix Metalloproteinases
MHC class II antigen presentation
WikiPathways Class I MHC mediated antigen processing & presentation
Trafficking and processing of endosomal TLRWP2018:RANKL/RANK Signaling Pathway
Osteoclast Signaling
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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