Drug Information

Drug General Information
Drug ID
D01MUU
Former ID
DNC006574
Drug Name
MELAGATRAN
Drug Type
Small molecular drug
Indication Discovery agent Phase 3 [521709], [541520]
Structure
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2D MOL

3D MOL
Formula
C22H31N5O4
InChI
InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1
InChIKey
DKWNMCUOEDMMIN-PKOBYXMFSA-N
PubChem Compound ID
183797
PubChem Substance ID
823967, 823976, 7888877, 10260002, 12015035, 14807481, 14832162, 33506196, 46392332, 49973260, 51091482, 75448641, 81054817, 87225413, 103986867, 104234149, 104440513, 127347174, 127347175, 135161591, 137220555, 137237552, 139272419, 160657372, 162169159, 163125710, 164228525, 164761749, 176225277, 178103000, 180372434, 198939790, 204369753, 215780616, 223554840, 226415180, 247111512
SuperDrug ATC ID
B01AE04
Target and Pathway
Target(s) Coagulation factor IIa Target Info Inhibitor [528017]
Plasminogen Target Info Inhibitor [528066]
Trypsin Target Info Inhibitor [528066]
Coagulation factor Xa Target Info Inhibitor [528066]
KEGG Pathway Neuroactive ligand-receptor interaction
Complement and coagulation cascades
Regulation of actin cytoskeletonhsa04080:Neuroactive ligand-receptor interaction
Staphylococcus aureus infection
Influenza Ahsa04080:Neuroactive ligand-receptor interaction
Pancreatic secretion
Protein digestion and absorption
Influenza Ahsa04610:Complement and coagulation cascades
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Blood coagulationP00011:Blood coagulation
Plasminogen activating cascadeP00011: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 eventsangiopoietinreceptor_pathway:Angiopoietin receptor Tie2-mediated signaling
p75(NTR)-mediated signaling
amb2 Integrin signaling
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signalingintegrin2_pathway:Beta2 integrin cell surface interactions
PathWhiz Pathway Vitamin K Metabolism
CoagulationPW000562: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-114608:Platelet degranulation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Dissolution of Fibrin ClotR-HSA-1592389:Activation of Matrix Metalloproteinases
Cobalamin (Cbl, vitamin B12) transport and metabolismR-HSA-140834: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 NetworkWP558:Complement and Coagulation Cascades
Human Complement System
Activation of Matrix Metalloproteinases
Dissolution of Fibrin Clot
Selenium Micronutrient NetworkWP2769:Activation of Matrix MetalloproteinasesWP558:Complement and Coagulation Cascades
References
Ref 521709ClinicalTrials.gov (NCT00206089) Melagatran/Ximelagatran Versus Enoxaparin for the Prevention of Venous Thromboembolic Events. U.S. National Institutes of Health.
Ref 541520(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6382).
Ref 528017Bioorg Med Chem Lett. 2006 May 15;16(10):2648-53. Epub 2006 Feb 3.Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety.
Ref 528066Bioorg Med Chem Lett. 2006 May 15;16(10):2641-7. Epub 2006 Mar 6.Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety.

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