Drug General Information
Drug ID
DXFO0F
Drug Name
(S)-N-((R)-2-(benzyloxy)-1-cyanoethyl)-4-methyl-2-(2-(2-methyl-1H-imidazol-1-yl)acetamido)pentanamide
Synonyms
CHEMBL208253
Indication Discovery agent Investigative [1587926]
Formula
C22H29N5O3
Canonical SMILES
CC(C)C[C@H](NC(=O)Cn1ccnc1C)C(=O)N[C@@H](COCc2ccccc2)C#N
InChI
InChI=1S/C22H29N5O3/c1-16(2)11-20(26-21(28)13-27-10-9-24-17(27)3)22(29)25-19(12-23)15-30-14-18-7-5-4-6-8-18/h4-10,16,19-20H,11,13-15H2,1-3H3,(H,25,29)(H,26,28)/t19-,20+/m1/s1
InChIKey
FSIREUUIWZPQTN-UXHICEINSA-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.