Drug General Information
Drug ID
DX4XAT
Drug Name
benzyl (S)-1-((S)-1-cyano-2-(4-(trifluoromethyl)phenyl)ethylamino)-4-methyl-1-oxopentan-2-ylcarbamate
Synonyms
CHEMBL380620
Indication Discovery agent Investigative [1587926]
Formula
C24H26F3N3O3
Canonical SMILES
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)F)C#N
InChI
InChI=1S/C24H26F3N3O3/c1-16(2)12-21(30-23(32)33-15-18-6-4-3-5-7-18)22(31)29-20(14-28)13-17-8-10-19(11-9-17)24(25,26)27/h3-11,16,20-21H,12-13,15H2,1-2H3,(H,29,31)(H,30,32)/t20-,21-/m0/s1
InChIKey
NACLTILEMHZADB-SFTDATJTSA-N
Target and Pathway
Target(s) Cathepsin K Target Info [1587926]
Cathepsin L Target Info [1587926]
KEGG Pathway Lysosome
Osteoclast differentiation
Toll-like receptor signaling pathway
Rheumatoid arthritishsa04142:Lysosome
Phagosome
Antigen processing and presentation
Proteoglycans in cancer
Rheumatoid arthritis
NetPath Pathway TGF_beta_Receptor Signaling Pathway
RANKL 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 SignalingWP2572:Primary Focal Segmental Glomerulosclerosis FSGS
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

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.