Drug General Information
Drug ID
DX5QVI
Drug Name
(S)-2-(6-chlorobenzo[d]oxazol-2-ylamino)-3-cyclohexyl-N-((S)-1-(5-fluoroindolin-1-yl)-4-(methylsulfonyl)butan-2-yl)propanamide
Synonyms
CHEMBL205240
Indication Discovery agent Investigative [1587926]
Formula
C29H36ClFN4O4S
Canonical SMILES
CS(=O)(=O)CC[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC3CCCCC3)Nc4oc5cc(Cl)ccc5n4
InChI
InChI=1S/C29H36ClFN4O4S/c1-40(37,38)14-12-23(18-35-13-11-20-16-22(31)8-10-26(20)35)32-28(36)25(15-19-5-3-2-4-6-19)34-29-33-24-9-7-21(30)17-27(24)39-29/h7-10,16-17,19,23,25H,2-6,11-15,18H2,1H3,(H,32,36)(H,33,34)/t23-,25-/m0/s1
InChIKey
FSXZTYDYWLKOJJ-ZCYQVOJMSA-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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