Drug Information

Drug General Information
Drug ID
D0Q1XK
Former ID
DIB019615
Drug Name
compound 9
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529661], [540075]
Structure
Download
2D MOL
Formula
C19H22BrNO2S
InChI
InChI=1S/C19H22BrNO2S/c1-21-12-19(22,23-16-5-3-2-4-15(16)21)14-8-6-13(7-9-14)17-10-11-18(20)24-17/h6-11,15-16,22H,2-5,12H2,1H3
InChIKey
GFRMFVSDSQREBC-UHFFFAOYSA-N
PubChem Compound ID
25147760
PubChem Substance ID
56479842, 103606502, 104106346, 135649692
Target and Pathway
Target(s) Squalene synthetase Target Info Inhibitor [529661]
BioCyc Pathway Cholesterol biosynthesis II (via 24,25-dihydrolanosterol)
Cholesterol biosynthesis III (via desmosterol)
Cholesterol biosynthesis I
Superpathway of cholesterol biosynthesis
Epoxysqualene biosynthesis
KEGG Pathway Steroid biosynthesis
Metabolic pathways
Biosynthesis of antibiotics
PANTHER Pathway Cholesterol biosynthesis
PathWhiz Pathway Steroid Biosynthesis
Reactome Cholesterol biosynthesis
PPARA activates gene expression
Activation of gene expression by SREBF (SREBP)
WikiPathways Statin Pathway
Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha)
Activation of Gene Expression by SREBP (SREBF)
SREBP signalling
Cholesterol Biosynthesis
Cholesterol biosynthesis
References
Ref 529661J Med Chem. 2008 Sep 25;51(18):5861-5.Lipid-lowering (hetero)aromatic tetrahydro-1,4-oxazine derivatives with antioxidant and squalene synthase inhibitory activity.
Ref 540075(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: 3072).
Ref 529661J Med Chem. 2008 Sep 25;51(18):5861-5.Lipid-lowering (hetero)aromatic tetrahydro-1,4-oxazine derivatives with antioxidant and squalene synthase inhibitory activity.

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