Drug General Information
Drug ID
DXTY9B
Drug Name
(S)-ethyl 3-(4-cyclohexyl-2-(3-methoxybenzamido)butanamido)-4-(5-fluoroindolin-1-yl)butanoate
Synonyms
CHEMBL383469
Indication Discovery agent Investigative [1587926]
Formula
C32H42FN3O5
Canonical SMILES
CCOC(=O)C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CCC3CCCCC3)NC(=O)c4cccc(OC)c4
InChI
InChI=1S/C32H42FN3O5/c1-3-41-30(37)20-26(21-36-17-16-23-18-25(33)13-15-29(23)36)34-32(39)28(14-12-22-8-5-4-6-9-22)35-31(38)24-10-7-11-27(19-24)40-2/h7,10-11,13,15,18-19,22,26,28H,3-6,8-9,12,14,16-17,20-21H2,1-2H3,(H,34,39)(H,35,38)/t26-,28-/m0/s1
InChIKey
VUNCDQVIHHNTRK-XCZPVHLTSA-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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