Drug General Information
Drug ID
D00OPO
Former ID
DIB019240
Drug Name
compound 14
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534782], [540110]
Structure
Download
2D MOL
Formula
C43H46N2O10
InChI
InChI=1S/C43H46N2O10/c1-3-23-44(27-29-15-19-33(20-16-29)54-31-11-7-5-8-12-31)39(48)35-25-36(43(42(52)53,26-37(46)47)38(35)41(50)51)40(49)45(24-4-2)28-30-17-21-34(22-18-30)55-32-13-9-6-10-14-32/h5-22,35-36,38H,3-4,23-28H2,1-2H3,(H,46,47)(H,50,51)(H,52,53)/t35-,36-,38+,43-/m0/s1
InChIKey
SZUVGFMDDVSKSI-WIFOCOSTSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Squalene synthetase Target Info Inhibitor [534782]
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 534782Cyclopentanedi- and tricarboxylic acids as squalene synthase inhibitors: syntheses and evaluation. Bioorg Med Chem Lett. 1998 Apr 21;8(8):891-6.
Ref 540110(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: 3106).
Ref 534782Cyclopentanedi- and tricarboxylic acids as squalene synthase inhibitors: syntheses and evaluation. Bioorg Med Chem Lett. 1998 Apr 21;8(8):891-6.

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