Drug General Information
Drug ID
D0Y4KJ
Former ID
DNC010539
Drug Name
5-Benzyloxy-benzo[b]thiophene-2-carboxamidine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530682]
Structure
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2D MOL

3D MOL

Formula
C22H18N2OS
Canonical SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CC4=C(C=C3)SC(=C4)C(=N)N
InChI
1S/C22H18N2OS/c23-22(24)21-13-18-12-17(8-11-20(18)26-21)16-6-9-19(10-7-16)25-14-15-4-2-1-3-5-15/h1-13H,14H2,(H3,23,24)
InChIKey
VZVHZNRYOZAOJD-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Coagulation factor IX Target Info Inhibitor [530682]
KEGG Pathway Complement and coagulation cascades
PANTHER Pathway Blood coagulation
PathWhiz Pathway Coagulation
Reactome Extrinsic Pathway of Fibrin Clot Formation
Intrinsic 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
WikiPathways Complement and Coagulation Cascades
PTM: gamma carboxylation, hypusine formation and arylsulfatase activation
Blood Clotting Cascade
Formation of Fibrin Clot (Clotting Cascade)
References
Ref 530682J Med Chem. 2010 Feb 25;53(4):1465-72.Studies of benzothiophene template as potent factor IXa (FIXa) inhibitors in thrombosis.
Ref 530682J Med Chem. 2010 Feb 25;53(4):1465-72.Studies of benzothiophene template as potent factor IXa (FIXa) inhibitors in thrombosis.

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