Drug General Information
Drug ID
DX3ZEF
Drug Name
5-Chloro-benzofuran-2-carboxylic acid {(S)-2-cyclohexyl-1-[2-(4-methoxy-phenylamino)-ethylcarbamoyl]-ethyl}-amide
Synonyms
CHEMBL198420
Indication Discovery agent Investigative [1587926]
Formula
C27H32ClN3O4
Canonical SMILES
COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c3oc4ccc(Cl)cc4c3)cc1
InChI
InChI=1S/C27H32ClN3O4/c1-34-22-10-8-21(9-11-22)29-13-14-30-26(32)23(15-18-5-3-2-4-6-18)31-27(33)25-17-19-16-20(28)7-12-24(19)35-25/h7-12,16-18,23,29H,2-6,13-15H2,1H3,(H,30,32)(H,31,33)/t23-/m0/s1
InChIKey
JWJMPDHKYJTJFE-QHCPKHFHSA-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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