Drug General Information
Drug ID
D0G4LX
Former ID
DIB019537
Drug Name
compound 57
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530681], [541674]
Structure
Download
2D MOL
Formula
C29H32N4O3S
InChI
InChI=1S/C29H32N4O3S/c1-19(2)16-32-17-21-11-6-7-12-23(21)33-29(34)35-18-25(20-9-4-3-5-10-20)36-24-13-8-14-26-22(24)15-27(37-26)28(30)31/h3-15,19,25,32H,16-18H2,1-2H3,(H3,30,31)(H,33,34)
InChIKey
QGLTXLFHFVMPJH-UHFFFAOYSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Coagulation factor IX Target Info Inhibitor [530681]
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 530681Structure based drug design: development of potent and selective factor IXa (FIXa) inhibitors. J Med Chem. 2010 Feb 25;53(4):1473-82.
Ref 541674(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: 6550).
Ref 530681Structure based drug design: development of potent and selective factor IXa (FIXa) inhibitors. J Med Chem. 2010 Feb 25;53(4):1473-82.

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