Drug General Information
Drug ID
DX7PU3
Drug Name
1H-Indole-2-carboxylic acid {(S)-1-[2-(4-cyclohexylmethoxy-phenylamino)-ethylcarbamoyl]-3-methyl-butyl}-amide
Synonyms
CHEMBL60835
Indication Discovery agent Investigative [1587926]
Formula
C30H34N4O3
Canonical SMILES
CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NCCNc3ccc(OCc4ccccc4)cc3
InChI
InChI=1S/C30H34N4O3/c1-21(2)18-27(34-30(36)28-19-23-10-6-7-11-26(23)33-28)29(35)32-17-16-31-24-12-14-25(15-13-24)37-20-22-8-4-3-5-9-22/h3-15,19,21,27,31,33H,16-18,20H2,1-2H3,(H,32,35)(H,34,36)/t27-/m0/s1
InChIKey
KALFEJDRRGDYIW-MHZLTWQESA-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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