Drug General Information
Drug ID
D05WZF
Former ID
DNC005106
Drug Name
P2,P3 Ketoamide derivative
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527197]
Structure
Download
2D MOL

3D MOL

Formula
C28H38FN5O6S
Canonical SMILES
CN(C)S(=O)(=O)NCCCCC(C(=O)C(=O)NCC1=CN=CC=C1)NC(=O)OCC2<br />(CCC2)CC3=CC=C(C=C3)F
InChI
1S/C28H38FN5O6S/c1-34(2)41(38,39)32-16-4-3-8-24(25(35)26(36)31-19-22-7-5-15-30-18-22)33-27(37)40-20-28(13-6-14-28)17-21-9-11-23(29)12-10-21/h5,7,9-12,15,18,24,32H,3-4,6,8,13-14,16-17,19-20H2,1-2H3,(H,31,36)(H,33,37)/t24-/m0/s1
InChIKey
AAYZJXOZLLKNGZ-DEOSSOPVSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cathepsin K Target Info Inhibitor [527197]
Cathepsin S Target Info Inhibitor [527197]
KEGG Pathway Lysosome
Osteoclast differentiation
Toll-like receptor signaling pathway
Rheumatoid arthritishsa04142:Lysosome
Phagosome
Antigen processing and presentation
Tuberculosis
NetPath Pathway TGF_beta_Receptor Signaling Pathway
RANKL Signaling Pathway
IL2 Signaling PathwayNetPath_22:Leptin 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-1236977:Endosomal/Vacuolar pathway
Assembly of collagen fibrils and other multimeric structures
MHC class II antigen presentation
WikiPathways RANKL/RANK Signaling Pathway
Osteoclast SignalingWP2796:Class I MHC mediated antigen processing & presentation
Trafficking and processing of endosomal TLR
References
Ref 527197Bioorg Med Chem Lett. 2004 Oct 4;14(19):4897-902.Potent and selective P2-P3 ketoamide inhibitors of cathepsin K with good pharmacokinetic properties via favorable P1', P1, and/or P3 substitutions.
Ref 527197Bioorg Med Chem Lett. 2004 Oct 4;14(19):4897-902.Potent and selective P2-P3 ketoamide inhibitors of cathepsin K with good pharmacokinetic properties via favorable P1', P1, and/or P3 substitutions.

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