TTD | Drug: D0A5MV

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]
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 527972	J 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 527972	J 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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Drug Information