Drug Information

Drug General Information
Drug ID
D0J1QT
Former ID
DNC010134
Drug Name
BMS-344577
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530503]
Structure
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2D MOL

3D MOL
Formula
C31H37N7O5
Canonical SMILES
CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)N<br />C(=O)C5=CN=C(C=C5)C(=O)N(C)C
InChI
1S/C31H37N7O5/c1-20-16-22-17-23(10-12-26(22)43-20)33-31(35-28(40)21-9-11-24(32-18-21)29(41)36(2)3)34-25-8-4-5-15-38(30(25)42)19-27(39)37-13-6-7-14-37/h9-12,16-18,25H,4-8,13-15,19H2,1-3H3,(H2,33,34,35,40)/t25-/m0/s1
InChIKey
YLSKCQOVDOZHTQ-VWLOTQADSA-N
PubChem Compound ID
44473100
Target and Pathway
Target(s) Coagulation factor Xa Target Info Inhibitor [530503]
Tissue-type plasminogen activator Target Info Inhibitor [530503]
Coagulation factor IIa Target Info Inhibitor [530503]
KEGG Pathway Complement and coagulation cascadeshsa04610:Complement and coagulation cascades
Transcriptional misregulation in cancerhsa04080:Neuroactive ligand-receptor interaction
Complement and coagulation cascades
Regulation of actin cytoskeleton
NetPath Pathway IL5 Signaling PathwayNetPath_11:TCR Signaling Pathway
PANTHER Pathway Blood coagulationP00011:Blood coagulation
Plasminogen activating cascadeP00011:Blood coagulation
Pathway Interaction Database Beta2 integrin cell surface interactionsamb2_neutrophils_pathway:amb2 Integrin signaling
Beta2 integrin cell surface interactionsthrombin_pathway: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 CoagulationPW000562:CoagulationPW000047:Vitamin K Metabolism
Coagulation
Reactome Extrinsic Pathway of Fibrin Clot Formation
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 proteinsR-HSA-75205:Dissolution of Fibrin ClotR-HSA-140837:Intrinsic Pathway of Fibrin Clot Formation
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)
WikiPathways Complement and Coagulation Cascades
Human Complement System
PTM: gamma carboxylation, hypusine formation and arylsulfatase activation
Blood Clotting Cascade
Formation of Fibrin Clot (Clotting Cascade)WP615:Senescence and Autophagy in Cancer
Endochondral Ossification
Dissolution of Fibrin Clot
Folate Metabolism
Vitamin B12 Metabolism
Selenium Micronutrient NetworkWP558: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)
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
Selenium Micronutrient Network
References
Ref 530503Bioorg Med Chem Lett. 2009 Dec 15;19(24):6882-9. Epub 2009 Oct 23.Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577.
Ref 530503Bioorg Med Chem Lett. 2009 Dec 15;19(24):6882-9. Epub 2009 Oct 23.Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577.

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