Drug Information

Drug General Information
Drug ID
D09KGN
Former ID
DIB019532
Drug Name
compound 51
Synonyms
bisphosphonate, 51
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529700], [540164]
Formula
C3H11N3O7P2
InChI
InChI=1S/C3H11N3O7P2/c4-2(5)6-1-3(7,14(8,9)10)15(11,12)13/h7H,1H2,(H4,4,5,6)(H2,8,9,10)(H2,11,12,13)
InChIKey
ZZHOMRYFXNLXOZ-UHFFFAOYSA-N
PubChem Compound ID
25023896
PubChem Substance ID
56374445, 56430122, 103762389, 135649702, 237349643, 246700619
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 540164(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: 3186).
Ref 529700Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation. J Med Chem. 2008 Sep 25;51(18):5594-607.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Tang and Dr. Zhang.