Drug Information

Drug General Information
Drug ID
D0KS1Z
Former ID
DIB019391
Drug Name
compound 26c
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527814], [541834]
Structure
Download
2D MOL
Formula
C40H55Cl2N5O3
InChI
InChI=1S/C40H53N5O3.2ClH/c1-6-7-21-45-38-32(19-12-20-42-38)35(29-17-11-18-31(23-29)48-22-13-16-28-14-9-8-10-15-28)37(39(45)46)44-40(47)43-36-33(26(2)3)24-30(41)25-34(36)27(4)5;;/h11-12,17-20,23-28H,6-10,13-16,21-22,41H2,1-5H3,(H2,43,44,47);2*1H
InChIKey
ZFNNBIMQDHBELV-UHFFFAOYSA-N
PubChem Compound ID
73755243
PubChem Substance ID
178103345
Target and Pathway
Target(s) Acetyl-CoA acetyltransferase, mitochondrial Target Info Inhibitor [527814]
BioCyc Pathway Isoleucine degradation
Glutaryl-CoA degradation
Superpathway of geranylgeranyldiphosphate biosynthesis I (via mevalonate)
Superpathway of cholesterol biosynthesis
Mevalonate pathway
Ketogenesis
Ketolysis
KEGG Pathway Fatty acid degradation
Synthesis and degradation of ketone bodies
Valine, leucine and isoleucine degradation
Lysine degradation
Tryptophan metabolism
Pyruvate metabolism
Glyoxylate and dicarboxylate metabolism
Propanoate metabolism
Butanoate metabolism
Terpenoid backbone biosynthesis
Metabolic pathways
Biosynthesis of antibiotics
Carbon metabolism
Fatty acid metabolism
NetPath Pathway Leptin Signaling Pathway
PANTHER Pathway CCKR signaling map ST
PathWhiz Pathway Butyrate Metabolism
Fatty acid Metabolism
Ketone Body Metabolism
Lysine Degradation
Valine, Leucine and Isoleucine Degradation
Pyruvate Metabolism
Propanoate Metabolism
Circadian clock
WikiPathways Tryptophan metabolism
Synthesis and Degradation of Ketone Bodies
Metabolism of amino acids and derivatives
Fatty acid, triacylglycerol, and ketone body metabolism
Fatty Acid Beta Oxidation
References
Ref 527814Bioorg Med Chem Lett. 2006 Jan 1;16(1):44-8. Epub 2005 Oct 18.Synthesis and biological activity of novel 4-phenyl-1,8-naphthyridin-2(1H)-on-3-yl ureas: potent acyl-CoA:cholesterol acyltransferase inhibitor with improved aqueous solubility.
Ref 541834(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: 6734).
Ref 527814Bioorg Med Chem Lett. 2006 Jan 1;16(1):44-8. Epub 2005 Oct 18.Synthesis and biological activity of novel 4-phenyl-1,8-naphthyridin-2(1H)-on-3-yl ureas: potent acyl-CoA:cholesterol acyltransferase inhibitor with improved aqueous solubility.

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