Drug Information

Drug General Information
Drug ID
D0V9GS
Former ID
DNC009411
Drug Name
4-amino-3-(4-(hexyloxy)phenyl)-4-oxobutanoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529392]
Formula
C16H23NO4
Canonical SMILES
CCCCCCOC1=CC=C(C=C1)C(CC(=O)O)C(=O)N
InChI
1S/C16H23NO4/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)14(16(17)20)11-15(18)19/h6-9,14H,2-5,10-11H2,1H3,(H2,17,20)(H,18,19)
InChIKey
RRXQHLQCQYPPMF-UHFFFAOYSA-N
PubChem Compound ID
651854
Target and Pathway
Target(s) MMP-9 Target Info Inhibitor [529392]
Neutrophil collagenase Target Info Inhibitor [529392]
Collagenase 3 Target Info Inhibitor [529392]
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 cancer
NetPath Pathway ID Signaling Pathway
TWEAK Signaling Pathway
Leptin Signaling Pathway
TNFalpha Signaling PathwayNetPath_13:IL1 Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascade
CCKR signaling map STP00004:Alzheimer disease-presenilin pathwayP00004:Alzheimer disease-presenilin pathway
Pathway Interaction Database 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 pathwayupa_upar_pathway: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
EPH-ephrin mediated repulsion of cellsR-HSA-1442490:Collagen degradation
Activation of Matrix MetalloproteinasesR-HSA-1442490:Collagen degradation
WikiPathways Endochondral Ossification
IL1 and megakaryotyces in obesity
Mammary gland development pathway - Involution (Stage 4 of 4)
Activation of Matrix Metalloproteinases
Degradation of collagen
Spinal Cord Injury
AGE/RAGE pathway
TWEAK Signaling Pathway
Angiogenesis
Osteopontin Signaling
Matrix MetalloproteinasesWP2769:Activation of Matrix Metalloproteinases
Matrix MetalloproteinasesWP474:Endochondral Ossification
Oncostatin M Signaling Pathway
Matrix Metalloproteinases
References
Ref 529392Bioorg Med Chem. 2009 Feb 1;17(3):1101-8. Epub 2008 Mar 8.Ranking the selectivity of PubChem screening hits by activity-based protein profiling: MMP13 as a case study.
Ref 529392Bioorg Med Chem. 2009 Feb 1;17(3):1101-8. Epub 2008 Mar 8.Ranking the selectivity of PubChem screening hits by activity-based protein profiling: MMP13 as a case study.