Drug Information

Drug General Information
Drug ID
D0A8PI
Former ID
DNC004036
Drug Name
Boc-Agly-Val-Agly-OEt
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526417]
Structure
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2D MOL

3D MOL
Formula
C19H36N4O6
Canonical SMILES
CCOC(=O)NNC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C
InChI
1S/C19H36N4O6/c1-9-28-18(27)23-22-16(25)14(12(4)5)21-15(24)13(10-11(2)3)20-17(26)29-19(6,7)8/h11-14H,9-10H2,1-8H3,(H,20,26)(H,21,24)(H,22,25)(H,23,27)
InChIKey
CCIRNXXUWFWJAR-UHFFFAOYSA-N
PubChem Compound ID
44355107
Target and Pathway
Target(s) Cathepsin K Target Info Inhibitor [526417]
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 526417J Med Chem. 2002 Sep 12;45(19):4202-11.Azapeptides structurally based upon inhibitory sites of cystatins as potent and selective inhibitors of cysteine proteases.
Ref 526417J Med Chem. 2002 Sep 12;45(19):4202-11.Azapeptides structurally based upon inhibitory sites of cystatins as potent and selective inhibitors of cysteine proteases.

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