Drug Information

Drug General Information
Drug ID
D0TK4X
Former ID
DIB019504
Drug Name
compound 47
Synonyms
bisphosphonate, 47
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529700], [540175]
Structure
Download
2D MOL
Formula
C15H14Cl4O6P2
InChI
InChI=1S/C15H14Cl4O6P2/c16-11-3-1-9(13(18)5-11)7-15(26(20,21)22,27(23,24)25)8-10-2-4-12(17)6-14(10)19/h1-6H,7-8H2,(H2,20,21,22)(H2,23,24,25)
InChIKey
HOUGVWVFZPBNCB-UHFFFAOYSA-N
PubChem Compound ID
25023895
PubChem Substance ID
56374441, 103605168, 135649650
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 529700Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation. J Med Chem. 2008 Sep 25;51(18):5594-607.
Ref 540175(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: 3197).
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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