Drug Information

Drug General Information
Drug ID
D06JOC
Former ID
DNC003728
Drug Name
IK-682
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526446]
Structure
Download
2D MOL
Formula
C25H27N3O4
Canonical SMILES
CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C4(CCN(C4=O)C(C)C(<br />=O)NO)C
InChI
1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
InChIKey
YDMIPBHQKFOFQW-NSYGIPOTSA-N
PubChem Compound ID
6914621
Target and Pathway
Target(s) Matrixmetalloproteinase Target Info Inhibitor [526446]
Matrix metalloproteinase-14 Target Info Inhibitor [526446]
MMP-9 Target Info Inhibitor [526446]
72 kDa type IV collagenase Target Info Inhibitor [526446]
Stromelysin-1 Target Info Inhibitor [526446]
Neutrophil collagenase Target Info Inhibitor [526446]
Tumor necrosis factor Target Info Inhibitor [526446]
Matrilysin Target Info Inhibitor [526446]
Collagenase 3 Target Info Inhibitor [526446]
ADAM 17 Target Info Inhibitor [529692]
KEGG Pathway TNF signaling pathway
GnRH signaling pathwayhsa04668: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 cancerhsa04668:TNF signaling pathway
Rheumatoid arthritishsa04010:MAPK signaling pathway
Cytokine-cytokine receptor interaction
NF-kappa B signaling pathway
Sphingolipid signaling pathway
mTOR signaling pathway
Apoptosis
TGF-beta signaling pathway
Osteoclast differentiation
Antigen processing and presentation
Toll-like receptor signaling pathway
NOD-like receptor signaling pathway
RIG-I-like receptor signaling pathway
Hematopoietic cell lineage
Natural killer cell mediated cytotoxicity
T cell receptor signaling pathway
Fc epsilon RI signaling pathway
Adipocytokine signaling pathway
Type II diabetes mellitus
Non-alcoholic fatty liver disease (NAFLD)
Type I diabetes mellitus
Alzheimer's disease
Amyotrophic lateral sclerosis (ALS)
Pertussis
Legionellosis
Leishmaniasis
Chagas disease (American trypanosomiasis)
African trypanosomiasis
Malaria
Toxoplasmosis
Amoebiasis
Tuberculosis
Hepatitis C
Influenza A
HTLV-I infection
Herpes simplex infection
Asthma
Inflammatory bowel disease (IBD)
Systemic lupus erythematosus
Rheumatoid arthritis
Allograft rejection
Graft-versus-host disease
Hypertrophic cardiomyopathy (HCM)
Dilated cardiomyopathyhsa04310:Wnt signaling pathwayhsa04330:Notch signaling pathway
Epithelial cell signaling in Helicobacter pylori infection
NetPath Pathway ID Signaling Pathway
TWEAK Signaling Pathway
Leptin Signaling Pathway
TNFalpha Signaling PathwayNetPath_22:Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_13:IL1 Signaling Pathway
IL4 Signaling PathwayNetPath_11:TCR Signaling Pathway
IL2 Signaling Pathway
IL3 Signaling Pathway
IL4 Signaling Pathway
RANKL Signaling Pathway
IL1 Signaling PathwayNetPath_8:Wnt Signaling PathwayNetPath_13:IL1 Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
CCKR signaling map STP00004:Alzheimer disease-presenilin pathwayP00050:Plasminogen activating cascade
CCKR signaling map STP00004:Alzheimer disease-presenilin pathwayP00006:Apoptosis signaling pathway
Wnt signaling pathwayP00004:Alzheimer disease-presenilin pathway
Wnt signaling pathway
CCKR signaling map STP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascadeP00003:Alzheimer disease-amyloid secretase pathway
Alzheimer disease-presenilin pathway
Notch signaling pathway
Pathway Interaction Database HIF-2-alpha transcription factor network
Signaling events mediated by focal adhesion kinaselysophospholipid_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 eventsajdiss_2pathway:Posttranslational regulation of adherens junction stability and dissassembly
p75(NTR)-mediated signaling
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signalingil27pathway:IL27-mediated signaling events
Canonical NF-kappaB pathway
Calcineurin-regulated NFAT-dependent transcription in lymphocytes
Signaling events mediated by HDAC Class I
TNF receptor signaling pathway
Ceramide signaling pathway
RXR and RAR heterodimerization with other nuclear receptor
IL23-mediated signaling events
HIV-1 Nef: Negative effector of Fas and TNF-alpha
Caspase Cascade in Apoptosis
Cellular roles of Anthrax toxin
Downstream signaling in na&#xef
Posttranslational regulation of adherens junction stability and dissassembly
Syndecan-1-mediated signaling eventsupa_upar_pathway:Urokinase-type plasminogen activator (uPA) and uPAR-mediated signalingerbb4_pathway:ErbB4 signaling events
PathWhiz Pathway Fc Epsilon Receptor I Signaling in Mast Cells
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix MetalloproteinasesR-HSA-1442490:Collagen degradation
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)
EGFR Transactivation by GastrinR-HSA-1442490:Collagen degradation
Activation of Matrix MetalloproteinasesR-HSA-381340:Transcriptional regulation of white adipocyte differentiation
TNFR1-induced proapoptotic signaling
Regulation of TNFR1 signaling
TNFR1-induced NFkappaB signaling pathway
TNFR1-mediated ceramide production
TNFR2 non-canonical NF-kB pathway
TNF signalingR-HSA-1442490:Collagen degradation
Assembly of collagen fibrils and other multimeric structuresR-HSA-1442490:Collagen degradation
Assembly of collagen fibrils and other multimeric structuresR-HSA-1251985:Nuclear signaling by ERBB4
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 signaling
WikiPathways Senescence and Autophagy in Cancer
Activation of Matrix Metalloproteinases
Degradation of collagen
AGE/RAGE pathway
Matrix MetalloproteinasesWP474:Endochondral Ossification
IL1 and megakaryotyces in obesity
Mammary gland development pathway - Involution (Stage 4 of 4)
Spinal Cord Injury
TWEAK Signaling Pathway
Angiogenesis
Osteopontin Signaling
Matrix MetalloproteinasesWP2769:Activation of Matrix Metalloproteinases
Gastrin-CREB signalling pathway via PKC and MAPK
Oncostatin M Signaling Pathway
Matrix MetalloproteinasesWP75:Toll-like receptor signaling pathway
Monoamine Transport
SIDS Susceptibility Pathways
TGF Beta Signaling Pathway
Cytokines and Inflammatory Response
MAPK Signaling Pathway
EV release from cardiac cells and their functional effects
FAS pathway and Stress induction of HSP regulation
Apoptosis-related network due to altered Notch3 in ovarian cancer
Cardiac Hypertrophic Response
Transcriptional Regulation of White Adipocyte Differentiation
Aryl Hydrocarbon Receptor
Apoptosis
Nanoparticle triggered regulated necrosis
Amyotrophic lateral sclerosis (ALS)
Adipogenesis
Allograft Rejection
TNF alpha Signaling Pathway
Extrinsic Pathway for Apoptosis
Folate Metabolism
MicroRNAs in cardiomyocyte hypertrophy
Vitamin B12 Metabolism
Selenium Micronutrient Network
Regulation of toll-like receptor signaling pathway
Matrix MetalloproteinasesWP399:Wnt Signaling Pathway and Pluripotency
Matrix MetalloproteinasesWP61:Notch Signaling Pathway
Copper homeostasis
Notch Signaling Pathway
Growth hormone receptor signaling
BDNF signaling pathway
Alzheimers Disease
Signalling by NGF
References
Ref 526446J Med Chem. 2002 Nov 7;45(23):4954-7.Discovery of gamma-lactam hydroxamic acids as selective inhibitors of tumor necrosis factor alpha converting enzyme: design, synthesis, and structure-activity relationships.
Ref 526446J Med Chem. 2002 Nov 7;45(23):4954-7.Discovery of gamma-lactam hydroxamic acids as selective inhibitors of tumor necrosis factor alpha converting enzyme: design, synthesis, and structure-activity relationships.
Ref 529692Bioorg Med Chem. 2008 Oct 1;16(19):8781-94. Epub 2008 Aug 29.Specific targeting of metzincin family members with small-molecule inhibitors: progress toward a multifarious challenge.

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