Drug Information

Drug General Information
Drug ID
D0S4UA
Former ID
DIB018501
Drug Name
1-allyl-2-[3-(isopropylamino)propoxy]-9H-xanthen-9-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [540137]
Structure
Download
2D MOL
Formula
C22H25NO3
InChI
InChI=1S/C22H25NO3/c1-4-8-16-18(25-14-7-13-23-15(2)3)11-12-20-21(16)22(24)17-9-5-6-10-19(17)26-20/h4-6,9-12,15,23H,1,7-8,13-14H2,2-3H3
InChIKey
NZEPLPVSYIYMMM-UHFFFAOYSA-N
PubChem Compound ID
56947004
PubChem Substance ID
135649656
Target and Pathway
Target(s) Squalene synthetase Target Info Inhibitor [527258]
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 540137(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: 3135).
Ref 527258Synthesis and biological evaluation of novel propylamine derivatives as orally active squalene synthase inhibitors. Bioorg Med Chem. 2004 Nov 15;12(22):5899-908.

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