Drug General Information
Drug ID
D0E9JR
Former ID
DNC009409
Drug Name
Ethyl 2-cyano-2-(quinoxalin-2(1H)-ylidene)acetate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529388]
Structure
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2D MOL

3D MOL

Formula
C13H11N3O2
Canonical SMILES
CCOC(=O)C(=C1C=NC2=CC=CC=C2N1)C#N
InChI
1S/C13H11N3O2/c1-2-18-13(17)9(7-14)12-8-15-10-5-3-4-6-11(10)16-12/h3-6,8,16H,2H2,1H3/b12-9-
InChIKey
XEXZOINHSIFHFY-XFXZXTDPSA-N
PubChem Compound ID
Target and Pathway
Target(s) Collagenase 3 Target Info Inhibitor [529388]
NetPath Pathway IL1 Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascade
Pathway Interaction Database Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Assembly of collagen fibrils and other multimeric structures
WikiPathways Endochondral Ossification
Activation of Matrix Metalloproteinases
Oncostatin M Signaling Pathway
AGE/RAGE pathway
Matrix Metalloproteinases
References
Ref 529388Bioorg Med Chem. 2009 Feb 1;17(3):990-1005. Epub 2008 Mar 6.High throughput screening of potentially selective MMP-13 exosite inhibitors utilizing a triple-helical FRET substrate.
Ref 529388Bioorg Med Chem. 2009 Feb 1;17(3):990-1005. Epub 2008 Mar 6.High throughput screening of potentially selective MMP-13 exosite inhibitors utilizing a triple-helical FRET substrate.

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