Drug Information

Drug General Information
Drug ID
D08ICI
Former ID
DNC008113
Drug Name
N-hydroxy-3-(6-methoxy-2-oxo-2H-chromen-3-yl)
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529102]
Structure
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2D MOL

3D MOL
Formula
C13H13NO5
Canonical SMILES
COC1=CC2=C(C=C1)OC(=O)C(=C2)CCC(=O)NO
InChI
1S/C13H13NO5/c1-18-10-3-4-11-9(7-10)6-8(13(16)19-11)2-5-12(15)14-17/h3-4,6-7,17H,2,5H2,1H3,(H,14,15)
InChIKey
JUDXBTMVZVWJNP-UHFFFAOYSA-N
PubChem Compound ID
44446277
Target and Pathway
Target(s) ADAM 17 Target Info Inhibitor [529102]
MMP-9 Target Info Inhibitor [529102]
72 kDa type IV collagenase Target Info Inhibitor [529102]
KEGG Pathway Notch signaling pathway
Alzheimer's disease
Epithelial cell signaling in Helicobacter pylori infectionhsa04668: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 ID Signaling Pathway
TWEAK Signaling Pathway
Leptin Signaling Pathway
TNFalpha Signaling PathwayNetPath_22:Leptin Signaling Pathway
TCR Signaling Pathway
PANTHER Pathway Alzheimer disease-amyloid secretase pathway
Alzheimer disease-presenilin pathway
Notch signaling pathwayP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
CCKR signaling map STP00004:Alzheimer disease-presenilin pathway
Pathway Interaction Database ErbB4 signaling events
TNF receptor signaling pathway
p75(NTR)-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 Nuclear signaling by ERBB4
Collagen degradation
Regulated proteolysis of p75NTR
Activated NOTCH1 Transmits Signal to the Nucleus
Constitutive Signaling by NOTCH1 PEST Domain Mutants
Constitutive Signaling by NOTCH1 t(7
M1580_K2555) Translocation Mutant
Constitutive Signaling by NOTCH1 HD Domain Mutants
Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants
TNF signaling
Growth hormone receptor signalingR-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 Notch Signaling Pathway
Copper homeostasis
Notch Signaling Pathway
Growth hormone receptor signaling
BDNF signaling pathway
Alzheimers Disease
Signalling by NGF
Extrinsic Pathway for ApoptosisWP474: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 Metalloproteinases
References
Ref 529102Bioorg Med Chem. 2008 Jan 1;16(1):530-5. Epub 2007 Sep 14.Chromen-based TNF-alpha converting enzyme (TACE) inhibitors: design, synthesis, and biological evaluation.
Ref 529102Bioorg Med Chem. 2008 Jan 1;16(1):530-5. Epub 2007 Sep 14.Chromen-based TNF-alpha converting enzyme (TACE) inhibitors: design, synthesis, and biological evaluation.

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