Drug Information

Drug General Information
Drug ID
D05JPV
Former ID
DNC006096
Drug Name
4-(4-(dec-1-ynyl)phenyl)-4-oxobutanoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527972]
Structure
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2D MOL

3D MOL
Formula
C20H26O3
Canonical SMILES
CCCCCCCCC#CC1=CC=C(C=C1)C(=O)CCC(=O)O
InChI
1S/C20H26O3/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19(21)15-16-20(22)23/h11-14H,2-8,15-16H2,1H3,(H,22,23)
InChIKey
JJPRJMIBECZYNN-UHFFFAOYSA-N
PubChem Compound ID
44406790
Target and Pathway
Target(s) MMP-12 Target Info Inhibitor [527972]
72 kDa type IV collagenase Target Info Inhibitor [527972]
KEGG Pathway Leukocyte transendothelial migration
GnRH signaling pathway
Estrogen signaling pathway
Pathways in cancer
Proteoglycans in cancer
Bladder cancer
NetPath Pathway IL1 Signaling Pathway
IL5 Signaling PathwayNetPath_22:Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Pathway Interaction Database Urokinase-type plasminogen activator (uPA) and uPAR-mediated signalinglysophospholipid_pathway:LPA receptor mediated events
Plasma membrane estrogen receptor signaling
Osteopontin-mediated events
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Angiopoietin receptor Tie2-mediated signaling
Direct p53 effectors
amb2 Integrin signaling
ATF-2 transcription factor network
FOXM1 transcription factor network
Regulation of nuclear beta catenin signaling and target gene transcription
Syndecan-2-mediated signaling events
Reactome Collagen degradation
Degradation of the extracellular matrixR-HSA-1442490:Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
EPH-ephrin mediated repulsion of cells
WikiPathways TGF beta Signaling Pathway
Degradation of collagen
Matrix MetalloproteinasesWP2769:Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix Metalloproteinases
References
Ref 527972J Med Chem. 2006 Jan 26;49(2):456-8.Selective inhibition of matrix metalloproteinase isozymes and in vivo protection against emphysema by substituted gamma-keto carboxylic acids.
Ref 527972J Med Chem. 2006 Jan 26;49(2):456-8.Selective inhibition of matrix metalloproteinase isozymes and in vivo protection against emphysema by substituted gamma-keto carboxylic acids.

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