Drug Information

Drug General Information
Drug ID
D02TNR
Former ID
DNC006136
Drug Name
N-(1-((cyanomethyl)carbamoyl)cyclohexyl)benzamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528002]
Structure
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2D MOL

3D MOL
Formula
C16H19N3O2
Canonical SMILES
C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=CC=C2
InChI
1S/C16H19N3O2/c17-11-12-18-15(21)16(9-5-2-6-10-16)19-14(20)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-10,12H2,(H,18,21)(H,19,20)
InChIKey
CSOZFSBRJJRGIA-UHFFFAOYSA-N
PubChem Compound ID
17945750
Target and Pathway
Target(s) Cathepsin K Target Info Inhibitor [528002]
KEGG Pathway Lysosome
Osteoclast differentiation
Toll-like receptor signaling pathway
Rheumatoid arthritis
NetPath Pathway TGF_beta_Receptor Signaling Pathway
RANKL 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 presentation
WikiPathways RANKL/RANK Signaling Pathway
Osteoclast Signaling
References
Ref 528002J Med Chem. 2006 Feb 9;49(3):1066-79.Beta-substituted cyclohexanecarboxamide: a nonpeptidic framework for the design of potent inhibitors of cathepsin K.
Ref 528002J Med Chem. 2006 Feb 9;49(3):1066-79.Beta-substituted cyclohexanecarboxamide: a nonpeptidic framework for the design of potent inhibitors of cathepsin K.

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