Drug General Information
Drug ID
DX2PKA
Drug Name
(S)-3-cyclohexyl-1-morpholino-1-oxopropan-2-yl (S)-4-phenyl-1-(4-(trifluoromethoxy)phenylamino)butan-2-ylcarbamate
Synonyms
CHEMBL383968
Indication Discovery agent Investigative [1587926]
Formula
C31H40F3N3O5
Canonical SMILES
FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)O[C@@H](CC3CCCCC3)C(=O)N4CCOCC4)cc1
InChI
InChI=1S/C31H40F3N3O5/c32-31(33,34)42-27-15-13-25(14-16-27)35-22-26(12-11-23-7-3-1-4-8-23)36-30(39)41-28(21-24-9-5-2-6-10-24)29(38)37-17-19-40-20-18-37/h1,3-4,7-8,13-16,24,26,28,35H,2,5-6,9-12,17-22H2,(H,36,39)/t26-,28-/m0/s1
InChIKey
WHBDOPKKFKNZRI-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

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.