Drug Information

Drug General Information
Drug ID
D0E9TE
Former ID
DIB019254
Drug Name
compound 15a
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531861], [542569]
Formula
C29H31ClN2O6
InChI
InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1
InChIKey
MSSQOQPKGAMUSY-LEAFIULHSA-N
PubChem Compound ID
57778011
PubChem Substance ID
137708999, 160685151, 160867441, 223365913, 224293172, 230070215, 245113967
Target and Pathway
Target(s) Squalene synthetase Target Info Inhibitor [531861]
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 531861Discovery of novel tricyclic compounds as squalene synthase inhibitors. Bioorg Med Chem. 2012 May 1;20(9):3072-93.
Ref 542569(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: 7578).
Ref 531861Discovery of novel tricyclic compounds as squalene synthase inhibitors. Bioorg Med Chem. 2012 May 1;20(9):3072-93.

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