TTD | Drug: D06JOC

Drug General Information
Drug ID	D06JOC
Former ID	DNC003728
Drug Name	IK-682
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[526446]
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 526446	J 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 526446	J 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 529692	Bioorg 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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Drug Information