Drug General Information
Drug ID
DXS6NM
Drug Name
N-((S)-1-((4S,7R)-7-methyl-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-ylamino)-3-(1-methylcyclohexyl)-1-oxopropan-2-yl)morpholine-4-carboxamide
Synonyms
CHEMBL1807701
Indication Discovery agent Investigative [1587926]
Formula
C27H41N5O6S
Canonical SMILES
C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)N3CCOCC3)C(=O)CN1S(=O)(=O)c4ccccn4
InChI
InChI=1S/C27H41N5O6S/c1-20-9-10-21(23(33)19-32(20)39(36,37)24-8-4-7-13-28-24)29-25(34)22(18-27(2)11-5-3-6-12-27)30-26(35)31-14-16-38-17-15-31/h4,7-8,13,20-22H,3,5-6,9-12,14-19H2,1-2H3,(H,29,34)(H,30,35)/t20-,21+,22+/m1/s1
InChIKey
WYBFWCUCYMPPNV-FSSWDIPSSA-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.