Drug Information

Drug General Information
Drug ID
D0DL1F
Former ID
DNC013548
Drug Name
1-[(tert-butylamino)ethyl]-1,1-bisphosphonicacid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529229]
Structure
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2D MOL

3D MOL
Formula
C6H17NO6P2
Canonical SMILES
CC(C)(C)NCC(P(=O)(O)O)P(=O)(O)O
InChI
1S/C6H17NO6P2/c1-6(2,3)7-4-5(14(8,9)10)15(11,12)13/h5,7H,4H2,1-3H3,(H2,8,9,10)(H2,11,12,13)
InChIKey
XGRIOZQTBVXIFW-UHFFFAOYSA-N
PubChem Compound ID
19689018
Target and Pathway
Target(s) Farnesyl pyrophosphatesynthetase Target Info Inhibitor [529229]
KEGG Pathway Terpenoid backbone biosynthesis
Metabolic pathways
Biosynthesis of antibiotics
Influenza A
HTLV-I infection
PathWhiz Pathway Steroid Biosynthesis
Reactome Cholesterol biosynthesis
Activation of gene expression by SREBF (SREBP)
WikiPathways Activation of Gene Expression by SREBP (SREBF)
SREBP signalling
Cholesterol Biosynthesis
References
Ref 529229Bioorg Med Chem. 2008 Mar 15;16(6):3283-90. Epub 2007 Dec 10.Synthesis and biological evaluation of 2-alkylaminoethyl-1,1-bisphosphonic acids against Trypanosoma cruzi and Toxoplasma gondii targeting farnesyl diphosphate synthase.
Ref 529229Bioorg Med Chem. 2008 Mar 15;16(6):3283-90. Epub 2007 Dec 10.Synthesis and biological evaluation of 2-alkylaminoethyl-1,1-bisphosphonic acids against Trypanosoma cruzi and Toxoplasma gondii targeting farnesyl diphosphate synthase.

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