Drug General Information
Drug ID
DXXN9K
Drug Name
{(S)-1-[(S)-1-Benzyl-2-(biphenyl-4-ylamino)-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
Synonyms
CHEMBL171998
Indication Discovery agent Investigative [1587926]
Formula
C35H39N3O3
Canonical SMILES
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc2ccc(cc2)c3ccccc3)Cc4ccccc4
InChI
InChI=1S/C35H39N3O3/c1-26(2)22-33(38-35(40)41-25-28-14-8-4-9-15-28)34(39)37-32(23-27-12-6-3-7-13-27)24-36-31-20-18-30(19-21-31)29-16-10-5-11-17-29/h3-21,26,32-33,36H,22-25H2,1-2H3,(H,37,39)(H,38,40)/t32-,33-/m0/s1
InChIKey
HKUZYWOFHOTSIY-LQJZCPKCSA-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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