Drug Information

Drug General Information
Drug ID
D04KAS
Former ID
DNC008200
Drug Name
Ac-Ala-Pro-Val-(2-benzoxazole)
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529193]
Structure
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2D MOL

3D MOL
Formula
C22H28N4O5
Canonical SMILES
CC(C)C(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C3CCCN3C(=O)C(C)NC(<br />=O)C
InChI
1S/C22H28N4O5/c1-12(2)18(19(28)21-24-15-8-5-6-10-17(15)31-21)25-20(29)16-9-7-11-26(16)22(30)13(3)23-14(4)27/h5-6,8,10,12-13,16,18H,7,9,11H2,1-4H3,(H,23,27)(H,25,29)/t13-,16-,18-/m0/s1
InChIKey
BITOROACNLSRME-OWQGQXMQSA-N
PubChem Compound ID
44454029
Target and Pathway
Target(s) Leukocyte elastase Target Info Inhibitor [529193]
KEGG Pathway Transcriptional misregulation in cancer
Systemic lupus erythematosus
Pathway Interaction Database Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
C-MYB transcription factor network
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
WikiPathways Hair Follicle Development: Cytodifferentiation (Part 3 of 3)
Human Complement System
Degradation of collagen
References
Ref 529193Bioorg Med Chem. 2008 Feb 15;16(4):1562-95. Epub 2007 Nov 6.Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality.
Ref 529193Bioorg Med Chem. 2008 Feb 15;16(4):1562-95. Epub 2007 Nov 6.Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality.

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