Drug General Information
Drug ID
DX9PQM
Drug Name
1H-Indole-2-carboxylic acid {(S)-1-[2-(4-methoxy-phenylamino)-ethylcarbamoyl]-3-methyl-butyl}-amide
Synonyms
CHEMBL304918
Indication Discovery agent Investigative [1587926]
Formula
C24H30N4O3
Canonical SMILES
COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cc3ccccc3[nH]2)cc1
InChI
InChI=1S/C24H30N4O3/c1-16(2)14-21(28-24(30)22-15-17-6-4-5-7-20(17)27-22)23(29)26-13-12-25-18-8-10-19(31-3)11-9-18/h4-11,15-16,21,25,27H,12-14H2,1-3H3,(H,26,29)(H,28,30)/t21-/m0/s1
InChIKey
SRYPGDMXSHZMAX-NRFANRHFSA-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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