Drug General Information
Drug ID
DX1NVG
Drug Name
benzyl(S)-3-methyl-1-((S)-4-methyl-1-((S)-4-methyl-1-oxopentan-2-ylamino)-1-oxopentan-2-ylamino)-1-oxobutan-2-ylcarbamate
Synonyms
CHEMBL2047376
Indication Discovery agent Investigative [1587926]
Formula
C25H39N3O5
Canonical SMILES
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C=O
InChI
InChI=1S/C25H39N3O5/c1-16(2)12-20(14-29)26-23(30)21(13-17(3)4)27-24(31)22(18(5)6)28-25(32)33-15-19-10-8-7-9-11-19/h7-11,14,16-18,20-22H,12-13,15H2,1-6H3,(H,26,30)(H,27,31)(H,28,32)/t20-,21-,22-/m0/s1
InChIKey
YHUAFMGVVANYBT-FKBYEOEOSA-N
Target and Pathway
Target(s) Cathepsin K Target Info [1587926]
Cathepsin B Target Info [1587926]
KEGG Pathway Lysosome
Osteoclast differentiation
Toll-like receptor signaling pathway
Rheumatoid arthritishsa04142:Lysosome
Antigen processing and presentation
NetPath Pathway TGF_beta_Receptor Signaling Pathway
RANKL Signaling Pathway
IL2 Signaling PathwayNetPath_11:TCR Signaling Pathway
IL2 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-1442490:Collagen degradation
Assembly of collagen fibrils and other multimeric structures
MHC class II antigen presentation
WikiPathways RANKL/RANK Signaling Pathway
Osteoclast Signaling
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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