Drug General Information
Drug ID
DX7NI8
Drug Name
3-Chloro-N-[1-(2S-ethyl-4-oxo-tetrahydro-furan-3S-ylcarbamoyl)-2S-(1-methyl-cyclopentyl)-ethyl]-4-methanesulfonylamino-benzamide
Synonyms
CHEMBL519135
Indication Discovery agent Investigative [1587926]
Formula
C23H32ClN3O6S
Canonical SMILES
CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC2(C)CCCC2)NC(=O)c3ccc(NS(=O)(=O)C)c(Cl)c3
InChI
InChI=1S/C23H32ClN3O6S/c1-4-19-20(18(28)13-33-19)26-22(30)17(12-23(2)9-5-6-10-23)25-21(29)14-7-8-16(15(24)11-14)27-34(3,31)32/h7-8,11,17,19-20,27H,4-6,9-10,12-13H2,1-3H3,(H,25,29)(H,26,30)/t17-,19-,20+/m0/s1
InChIKey
KQXQLJBYHQUENE-YSIASYRMSA-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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