Drug General Information
Drug ID
DX4TWZ
Drug Name
(S)-3,3-dimethyl-1-(3-(4-(trifluoromethyl)phenyl)-1H-pyrazol-1-yl)butan-2-yl (S)-1-(6-fluoropyridin-2-ylamino)-2-oxoheptan-3-ylcarbamate
Synonyms
CHEMBL232911
Indication Discovery agent Investigative [1587926]
Formula
C29H35F4N5O3
Canonical SMILES
CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)c2ccc(cc2)C(F)(F)F)C(C)(C)C)C(=O)CNc3cccc(F)n3
InChI
InChI=1S/C29H35F4N5O3/c1-5-6-8-22(23(39)17-34-26-10-7-9-25(30)36-26)35-27(40)41-24(28(2,3)4)18-38-16-15-21(37-38)19-11-13-20(14-12-19)29(31,32)33/h7,9-16,22,24H,5-6,8,17-18H2,1-4H3,(H,34,36)(H,35,40)/t22-,24+/m0/s1
InChIKey
AIBOMLIMFLTQOS-LADGPHEKSA-N
Target and Pathway
Target(s) Cathepsin K Target Info [1587926]
Cathepsin B Target Info [1587926]
KEGG Pathway Lysosome
Osteoclast differentiation
Toll-like receptor signaling pathway
Rheumatoid arthritishsa04142:Lysosome
Antigen processing and presentation
NetPath Pathway TGF_beta_Receptor Signaling Pathway
RANKL Signaling Pathway
IL2 Signaling PathwayNetPath_11:TCR Signaling Pathway
IL2 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-1442490:Collagen degradation
Assembly of collagen fibrils and other multimeric structures
MHC class II antigen presentation
WikiPathways RANKL/RANK Signaling Pathway
Osteoclast Signaling
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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