Drug Information

Drug General Information
Drug ID
D0JU9N
Former ID
DNC006811
Drug Name
BMS-740808
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529194]
Structure
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2D MOL

3D MOL
Formula
C31H27F3N6O3
Canonical SMILES
C1CN(CC1O)CC2=CC=CC=C2C3=CC=C(C=C3)N4CCC5=C(C4=O)N(N=C5<br />C(F)(F)F)C6=CC7=C(C=C6)ON=C7N
InChI
1S/C31H27F3N6O3/c32-31(33,34)28-24-12-14-39(30(42)27(24)40(36-28)21-9-10-26-25(15-21)29(35)37-43-26)20-7-5-18(6-8-20)23-4-2-1-3-19(23)16-38-13-11-22(41)17-38/h1-10,15,22,41H,11-14,16-17H2,(H2,35,37)/t22-/m1/s1
InChIKey
DFRIQJHMGZBFOM-JOCHJYFZSA-N
PubChem Compound ID
6914623
Target and Pathway
Target(s) Coagulation factor IIa Target Info Inhibitor [529194]
Coagulation factor Xa Target Info Inhibitor [529078]
KEGG Pathway Neuroactive ligand-receptor interaction
Complement and coagulation cascades
Regulation of actin cytoskeletonhsa04610:Complement and coagulation cascades
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Blood coagulationP00011: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 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-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
References
Ref 529194Bioorg Med Chem Lett. 2008 Jan 15;18(2):749-54. Epub 2007 Nov 17.Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors.
Ref 529078J Med Chem. 2007 Nov 1;50(22):5339-56. Epub 2007 Oct 3.Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban,BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa.
Ref 529194Bioorg Med Chem Lett. 2008 Jan 15;18(2):749-54. Epub 2007 Nov 17.Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors.

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