Drug Information

Drug General Information
Drug ID
D05RQJ
Former ID
DIB019187
Drug Name
compound 1
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534061], [540113]
Formula
C14H15BrN4O
InChI
InChI=1S/C28H48N2/c1-24(2)13-9-15-26(5)17-11-18-28(7)20-21-29-23-30(8)22-12-19-27(6)16-10-14-25(3)4/h13-14,17,19-20,23H,9-12,15-16,18,21-22H2,1-8H3/b26-17+,27-19+,28-20+,29-23+
InChIKey
PYSOMVKWLNTIIA-IMGWONPXSA-N
PubChem Compound ID
11290583
Target and Pathway
Target(s) Squalene synthetase Target Info Inhibitor [534061]
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 534061Amidinium cation as a mimic of allylic carbocation: synthesis and squalene synthetase inhibitory activity of an amidinium analog of a carbocation intermediate. J Med Chem. 1993 Mar 5;36(5):631-2.
Ref 540113(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: 3109).
Ref 534061Amidinium cation as a mimic of allylic carbocation: synthesis and squalene synthetase inhibitory activity of an amidinium analog of a carbocation intermediate. J Med Chem. 1993 Mar 5;36(5):631-2.

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