Drug Information

Drug General Information
Drug ID
D0A5MV
Former ID
DNC006094
Drug Name
3-(4-Phenylethynylbenzoyl)nonanoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527972]
Structure
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2D MOL

3D MOL
Formula
C24H26O3
Canonical SMILES
CCCCCCC(CC(=O)O)C(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2
InChI
1S/C24H26O3/c1-2-3-4-8-11-22(18-23(25)26)24(27)21-16-14-20(15-17-21)13-12-19-9-6-5-7-10-19/h5-7,9-10,14-17,22H,2-4,8,11,18H2,1H3,(H,25,26)
InChIKey
RPSYWEPJQQLLJN-UHFFFAOYSA-N
PubChem Compound ID
11581319
Target and Pathway
Target(s) MMP-12 Target Info Inhibitor [527972]
MMP-9 Target Info Inhibitor [527972]
72 kDa type IV collagenase Target Info Inhibitor [527972]
KEGG Pathway TNF signaling pathway
Leukocyte transendothelial migration
Estrogen signaling pathway
Hepatitis B
Pathways in cancer
Transcriptional misregulation in cancer
Proteoglycans in cancer
MicroRNAs in cancer
Bladder cancerhsa04670:Leukocyte transendothelial migration
GnRH signaling pathway
Bladder cancer
NetPath Pathway IL1 Signaling Pathway
IL5 Signaling PathwayNetPath_5:ID Signaling Pathway
TWEAK Signaling Pathway
Leptin Signaling Pathway
TNFalpha Signaling PathwayNetPath_22:Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascade
CCKR signaling map STP00004: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
Validated targets of C-MYC transcriptional activation
CXCR4-mediated signaling events
amb2 Integrin signaling
Syndecan-4-mediated signaling events
AP-1 transcription factor network
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Syndecan-1-mediated signaling events
Regulation of nuclear beta catenin signaling and target gene transcription
FGF signaling pathwaylysophospholipid_pathway:LPA receptor mediated events
Angiopoietin receptor Tie2-mediated signaling
Direct p53 effectors
ATF-2 transcription factor network
FOXM1 transcription factor network
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
Assembly of collagen fibrils and other multimeric structures
EPH-ephrin mediated repulsion of cellsR-HSA-1442490:Collagen degradation
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 MetalloproteinasesWP474:Endochondral Ossification
IL1 and megakaryotyces in obesity
Mammary gland development pathway - Involution (Stage 4 of 4)
Activation of Matrix Metalloproteinases
Spinal Cord Injury
AGE/RAGE pathway
TWEAK Signaling Pathway
Angiogenesis
Osteopontin Signaling
Matrix MetalloproteinasesWP2769:Activation of Matrix Metalloproteinases
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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