Drug General Information
Drug ID
DXX6I5
Drug Name
3-Acetyl-N-[1-(2S-ethyl-4-oxo-tetrahydro-furan-3S-ylcarbamoyl)-2S-(1-methyl-cyclopentyl)-ethyl]-4-methanesulfonylamino-benzamide
Synonyms
CHEMBL481227
Indication Discovery agent Investigative [1587926]
Formula
C25H35N3O7S
Canonical SMILES
CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC2(C)CCCC2)NC(=O)c3ccc(NS(=O)(=O)C)c(c3)C(=O)C
InChI
InChI=1S/C25H35N3O7S/c1-5-21-22(20(30)14-35-21)27-24(32)19(13-25(3)10-6-7-11-25)26-23(31)16-8-9-18(28-36(4,33)34)17(12-16)15(2)29/h8-9,12,19,21-22,28H,5-7,10-11,13-14H2,1-4H3,(H,26,31)(H,27,32)/t19-,21-,22+/m0/s1
InChIKey
JHYLMMFATBCMQI-ILWGZMRPSA-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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