Drug General Information
Drug ID
DXY6YO
Drug Name
(R)-2-(cyclohexylmethyl)-4-morpholino-4-oxo-N-((S)-4-phenyl-1-(4-(trifluoromethoxy)phenylamino)butan-2-yl)butanamide
Synonyms
CHEMBL239580
Indication Discovery agent Investigative [1587926]
Formula
C32H42F3N3O4
Canonical SMILES
FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@H](CC3CCCCC3)CC(=O)N4CCOCC4)cc1
InChI
InChI=1S/C32H42F3N3O4/c33-32(34,35)42-29-15-13-27(14-16-29)36-23-28(12-11-24-7-3-1-4-8-24)37-31(40)26(21-25-9-5-2-6-10-25)22-30(39)38-17-19-41-20-18-38/h1,3-4,7-8,13-16,25-26,28,36H,2,5-6,9-12,17-23H2,(H,37,40)/t26-,28+/m1/s1
InChIKey
IRBSFNODBMYMJG-IAPPQJPRSA-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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