Drug Information

Drug General Information
Drug ID
D0DC3N
Former ID
DIB019739
Drug Name
digeranyl bisphosphonate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [540165]
Formula
C21H38O6P2
InChI
InChI=1S/C21H38O6P2/c1-17(2)9-7-11-19(5)13-15-21(28(22,23)24,29(25,26)27)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H2,22,23,24)(H2,25,26,27)/b19-13+,20-14+
InChIKey
SQERRIVHBWCION-IWGRKNQJSA-N
PubChem Compound ID
11606263
PubChem Substance ID
56374411, 57417657, 77512834, 96099966, 103569396, 135650180, 221676922, 239389245
Target and Pathway
Target(s) Geranyltranstransferase Target Info Inhibitor [529700]
BioCyc Pathway Superpathway of geranylgeranyldiphosphate biosynthesis I (via mevalonate)
Superpathway of cholesterol biosynthesis
Trans, trans-farnesyl diphosphate biosynthesis
Geranylgeranyldiphosphate biosynthesis
KEGG Pathway Terpenoid backbone biosynthesis
Metabolic pathways
Biosynthesis of antibiotics
PANTHER Pathway Cholesterol biosynthesis
PathWhiz Pathway Steroid Biosynthesis
Reactome Cholesterol biosynthesis
Activation of gene expression by SREBF (SREBP)
WikiPathways Activation of Gene Expression by SREBP (SREBF)
References
Ref 540165(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: 3187).
Ref 529700Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation. J Med Chem. 2008 Sep 25;51(18):5594-607.

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