Drug Information

Drug General Information
Drug ID
D0B0LU
Former ID
DNC009295
Drug Name
[2-(Imidazol-2-yl-thio)ethyl]-bisphosphonic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529758]
Structure
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2D MOL

3D MOL
Formula
C5H10N2O6P2S
Canonical SMILES
C1=CN=C(N1)SCC(P(=O)(O)O)P(=O)(O)O
InChI
1S/C5H10N2O6P2S/c8-14(9,10)4(15(11,12)13)3-16-5-6-1-2-7-5/h1-2,4H,3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)
InChIKey
KVMQBCIVXMEYRO-UHFFFAOYSA-N
PubChem Compound ID
25140170
Target and Pathway
Target(s) Farnesyl pyrophosphatesynthetase Target Info Inhibitor [529758]
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 529758J Med Chem. 2008 Nov 13;51(21):6800-7. Epub 2008 Oct 21.Design, synthesis, and biological evaluation of novel aminobisphosphonates possessing an in vivo antitumor activity through a gammadelta-T lymphocytes-mediated activation mechanism.
Ref 529758J Med Chem. 2008 Nov 13;51(21):6800-7. Epub 2008 Oct 21.Design, synthesis, and biological evaluation of novel aminobisphosphonates possessing an in vivo antitumor activity through a gammadelta-T lymphocytes-mediated activation mechanism.

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