Drug General Information
Drug ID
D0H2PA
Former ID
DNC003860
Drug Name
PKF-242-484
Synonyms
TNF-484
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528065]
Structure
Download
2D MOL

3D MOL

Formula
C19H29N3O6
Canonical SMILES
CC(C)(C)C(C(=O)NC)NC(=O)C(C1=CC=C(C=C1)OC)C(CO)C(=O)NO
InChI
1S/C19H29N3O6/c1-19(2,3)15(18(26)20-4)21-17(25)14(13(10-23)16(24)22-27)11-6-8-12(28-5)9-7-11/h6-9,13-15,23,27H,10H2,1-5H3,(H,20,26)(H,21,25)(H,22,24)/t13-,14+,15+/m0/s1
InChIKey
IOLRUMINDIUCLJ-RRFJBIMHSA-N
PubChem Compound ID
Target and Pathway
Target(s) ADAM 17 Target Info Inhibitor [529876]
Collagenase 3 Target Info Inhibitor [528065]
Stromelysin-1 Target Info Inhibitor [528065]
Tumor necrosis factor Target Info Inhibitor [526335]
Interstitial collagenase Target Info Inhibitor [528065]
KEGG Pathway Notch signaling pathway
Alzheimer's disease
Epithelial cell signaling in Helicobacter pylori infectionhsa04668:TNF signaling pathway
Transcriptional misregulation in cancer
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
TNF signaling pathway
Adipocytokine signaling pathway
Type II diabetes mellitus
Non-alcoholic fatty liver disease (NAFLD)
Type I diabetes mellitus
Amyotrophic lateral sclerosis (ALS)
Pertussis
Legionellosis
Leishmaniasis
Chagas disease (American trypanosomiasis)
African trypanosomiasis
Malaria
Toxoplasmosis
Amoebiasis
Tuberculosis
Hepatitis C
Hepatitis B
Influenza A
HTLV-I infection
Herpes simplex infection
Proteoglycans in cancer
Asthma
Inflammatory bowel disease (IBD)
Systemic lupus erythematosus
Rheumatoid arthritis
Allograft rejection
Graft-versus-host disease
Hypertrophic cardiomyopathy (HCM)
Dilated cardiomyopathyhsa03320:PPAR signaling pathway
Pathways in cancer
Bladder cancer
NetPath Pathway IL1 Signaling PathwayNetPath_13:IL1 Signaling Pathway
IL4 Signaling PathwayNetPath_11:TCR Signaling Pathway
IL2 Signaling Pathway
IL3 Signaling Pathway
IL4 Signaling Pathway
Leptin Signaling Pathway
RANKL Signaling Pathway
EGFR1 Signaling Pathway
TWEAK Signaling Pathway
Wnt Signaling Pathway
PANTHER Pathway Alzheimer disease-amyloid secretase pathway
Alzheimer disease-presenilin pathway
Notch signaling pathwayP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascadeP00050:Plasminogen activating cascade
CCKR signaling map STP00006:Apoptosis signaling pathway
Wnt signaling pathwayP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
Pathway Interaction Database ErbB4 signaling events
TNF receptor signaling pathway
p75(NTR)-mediated signalingupa_upar_pathway:Urokinase-type plasminogen activator (uPA) and uPAR-mediated signalingajdiss_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
Angiopoietin receptor Tie2-mediated signaling
Signaling events mediated by HDAC Class I
Ceramide signaling pathway
amb2 Integrin signaling
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
Endothelins
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Glucocorticoid receptor regulatory network
AP-1 transcription factor network
Syndecan-1-mediated signaling events
PathWhiz Pathway Fc Epsilon Receptor I Signaling in Mast Cells
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 structuresR-HSA-1442490:Collagen degradation
Assembly of collagen fibrils and other multimeric structures
EGFR Transactivation by GastrinR-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
Basigin interactions
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
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
Activation of Matrix Metalloproteinases
Oncostatin M Signaling Pathway
AGE/RAGE pathway
Matrix MetalloproteinasesWP2769:Activation of Matrix Metalloproteinases
Gastrin-CREB signalling pathway via PKC and MAPK
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
TWEAK 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 MetalloproteinasesWP366:TGF beta Signaling Pathway
Bladder Cancer
Degradation of collagen
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Prostate Cancer
Integrated Breast Cancer Pathway
Integrated Cancer pathway
Cell surface interactions at the vascular wall
Matrix Metalloproteinases
References
Ref 528065Bioorg Med Chem Lett. 2006 May 15;16(10):2632-6. Epub 2006 Mar 3.A cassette-dosing approach for improvement of oral bioavailability of dual TACE/MMP inhibitors.
Ref 526335J Med Chem. 2002 May 23;45(11):2289-93.Beta-aryl-succinic acid hydroxamates as dual inhibitors of matrix metalloproteinases and tumor necrosis factor alpha converting enzyme.
Ref 528065Bioorg Med Chem Lett. 2006 May 15;16(10):2632-6. Epub 2006 Mar 3.A cassette-dosing approach for improvement of oral bioavailability of dual TACE/MMP inhibitors.
Ref 529876Bioorg Med Chem. 2009 Jan 15;17(2):444-59. Epub 2008 Dec 3.Current perspective of TACE inhibitors: a review.

If you find any error in data or bug in web service, please kindly report it to Dr. Wang and Dr. Li.