Drug General Information
Drug ID
DXE3EN
Drug Name
{(S)-1-[2-(4-Cyclohexyloxy-phenylamino)-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
Synonyms
CHEMBL304669
Indication Discovery agent Investigative [1587926]
Formula
C28H39N3O4
Canonical SMILES
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc2ccc(OC3CCCCC3)cc2
InChI
InChI=1S/C28H39N3O4/c1-21(2)19-26(31-28(33)34-20-22-9-5-3-6-10-22)27(32)30-18-17-29-23-13-15-25(16-14-23)35-24-11-7-4-8-12-24/h3,5-6,9-10,13-16,21,24,26,29H,4,7-8,11-12,17-20H2,1-2H3,(H,30,32)(H,31,33)/t26-/m0/s1
InChIKey
FFHFOZANIUHLFS-SANMLTNESA-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

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