Drug Information

Drug General Information
Drug ID
D0CT8A
Former ID
DNC004946
Drug Name
4-(3,4-Diethoxy-benzylamino)-benzamidine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527397]
Structure
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2D MOL

3D MOL
Formula
C18H23N3O2
Canonical SMILES
CCOC1=C(C=C(C=C1)CNC2=CC=C(C=C2)C(=N)N)OCC
InChI
1S/C18H23N3O2/c1-3-22-16-10-5-13(11-17(16)23-4-2)12-21-15-8-6-14(7-9-15)18(19)20/h5-11,21H,3-4,12H2,1-2H3,(H3,19,20)
InChIKey
KWXVDUACPKJCCN-UHFFFAOYSA-N
PubChem Compound ID
23646461
Target and Pathway
Target(s) Coagulation factor IIa Target Info Inhibitor [527397]
Trypsin Target Info Inhibitor [527397]
Coagulation factor VII Target Info Inhibitor [527397]
KEGG Pathway Neuroactive ligand-receptor interaction
Complement and coagulation cascades
Regulation of actin cytoskeletonhsa04080:Neuroactive ligand-receptor interaction
Pancreatic secretion
Protein digestion and absorption
Influenza Ahsa04610:Complement and coagulation cascades
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Blood coagulationP00005:Angiogenesis
Blood coagulation
Pathway Interaction Database Thrombin/protease-activated receptor (PAR) pathway
Angiopoietin receptor Tie2-mediated signaling
FOXA2 and FOXA3 transcription factor networks
PAR4-mediated thrombin signaling events
Syndecan-4-mediated signaling events
PAR1-mediated thrombin signaling events
PathWhiz Pathway Vitamin K Metabolism
CoagulationPW000562:Coagulation
Reactome Intrinsic Pathway of Fibrin Clot Formation
Common Pathway of Fibrin Clot Formation
Gamma-carboxylation of protein precursors
Transport of gamma-carboxylated protein precursors from the endoplasmic reticulum to the Golgi apparatus
Removal of aminoterminal propeptides from gamma-carboxylated proteins
Cell surface interactions at the vascular wall
Peptide ligand-binding receptors
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
G alpha (q) signalling events
Thrombin signalling through proteinase activated receptors (PARs)R-HSA-1592389:Activation of Matrix Metalloproteinases
Cobalamin (Cbl, vitamin B12) transport and metabolismR-HSA-1368108:BMAL1:CLOCK,NPAS2 activates circadian gene expression
Extrinsic Pathway of Fibrin Clot Formation
WikiPathways Complement and Coagulation Cascades
Regulation of Actin Cytoskeleton
IL1 and megakaryotyces in obesity
Regulation of Insulin-like Growth Factor (IGF) Transport and Uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
PTM: gamma carboxylation, hypusine formation and arylsulfatase activation
Blood Clotting Cascade
Gastrin-CREB signalling pathway via PKC and MAPK
Thrombin signalling through proteinase activated receptors (PARs)
Platelet Aggregation (Plug Formation)
GPCR ligand binding
GPCR downstream signaling
Formation of Fibrin Clot (Clotting Cascade)
Cell surface interactions at the vascular wall
Folate Metabolism
Vitamin B12 Metabolism
Selenium Micronutrient NetworkWP2769:Activation of Matrix MetalloproteinasesWP558:Complement and Coagulation Cascades
Circadian Clock
Selenium Micronutrient Network
References
Ref 527397Bioorg Med Chem Lett. 2005 Feb 1;15(3):817-22.Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors.
Ref 527397Bioorg Med Chem Lett. 2005 Feb 1;15(3):817-22.Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors.

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