TTD | Drug: D0J1QT

Drug General Information
Drug ID	D0J1QT
Former ID	DNC010134
Drug Name	BMS-344577
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[530503]
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
PANTHER Pathway	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
PathWhiz Pathway	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 530503	Bioorg 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 530503	Bioorg Med Chem Lett. 2009 Dec 15;19(24):6882-9. Epub 2009 Oct 23.Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577.

Drug Information