Drug Information

Drug General Information
Drug ID
D0M4VZ
Former ID
DNC008921
Drug Name
D-Pro-Phe-Arg chloromethyl ketone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529454]
Structure
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2D MOL

3D MOL
Formula
C21H31ClN6O3
Canonical SMILES
C1CC(NC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)C<br />Cl
InChI
1S/C21H31ClN6O3/c22-13-18(29)15(8-4-11-26-21(23)24)27-20(31)17(12-14-6-2-1-3-7-14)28-19(30)16-9-5-10-25-16/h1-3,6-7,15-17,25H,4-5,8-13H2,(H,27,31)(H,28,30)(H4,23,24,26)/t15-,16+,17-/m0/s1
InChIKey
HCCRRLVJBLDSLL-BBWFWOEESA-N
PubChem Compound ID
10456438
Target and Pathway
Target(s) Plasma kallikrein Target Info Inhibitor [529454]
Coagulation factor IIa Target Info Inhibitor [529454]
Coagulation factor Xa Target Info Inhibitor [529454]
Tissue factor Target Info Inhibitor [529454]
KEGG Pathway Complement and coagulation cascadeshsa04080:Neuroactive ligand-receptor interaction
Complement and coagulation cascades
Regulation of actin cytoskeletonhsa04610:Complement and coagulation cascadeshsa04610:Complement and coagulation cascades
NetPath Pathway AndrogenReceptor Signaling PathwayNetPath_11:TCR Signaling PathwayNetPath_16:IL4 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
TWEAK Signaling Pathway
PANTHER Pathway Blood coagulationP00011:Blood coagulationP00011: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 eventsintegrin2_pathway:Beta2 integrin cell surface interactions
PathWhiz Pathway CoagulationPW000047:Vitamin K Metabolism
CoagulationPW000562:CoagulationPW000562:Coagulation
Reactome Intrinsic Pathway of Fibrin Clot Formation
Activation of Matrix MetalloproteinasesR-HSA-140837: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-140834:Extrinsic Pathway of Fibrin Clot Formation
Removal of aminoterminal propeptides from gamma-carboxylated proteinsR-HSA-140834:Extrinsic Pathway of Fibrin Clot Formation
WikiPathways Complement and Coagulation Cascades
Human Complement System
Blood Clotting Cascade
Formation of Fibrin Clot (Clotting Cascade)WP558: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
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 NetworkWP558:Complement and Coagulation Cascades
References
Ref 529454J Med Chem. 2008 Jun 12;51(11):3077-80. Epub 2008 May 7.Novel 3-carboxamide-coumarins as potent and selective FXIIa inhibitors.
Ref 529454J Med Chem. 2008 Jun 12;51(11):3077-80. Epub 2008 May 7.Novel 3-carboxamide-coumarins as potent and selective FXIIa inhibitors.

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