Drug General Information
Drug ID
DXU4RX
Drug Name
2,2-dimethyl-3-phenylpropyl(S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate
Synonyms
CHEMBL182775
Indication Discovery agent Investigative [1587926]
Formula
C27H36N2O4
Canonical SMILES
CCCC[C@H](NC(=O)OCC(C)(C)Cc1ccccc1)C(=O)C(=O)N[C@H](C)c2ccccc2
InChI
InChI=1S/C27H36N2O4/c1-5-6-17-23(24(30)25(31)28-20(2)22-15-11-8-12-16-22)29-26(32)33-19-27(3,4)18-21-13-9-7-10-14-21/h7-16,20,23H,5-6,17-19H2,1-4H3,(H,28,31)(H,29,32)/t20-,23+/m1/s1
InChIKey
NMXQSPUYSZKXOQ-OFNKIYASSA-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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