Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0A4MM
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| Former ID |
DNC008432
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| Drug Name |
NE-10575
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| Synonyms |
NE-10575; CHEMBL99553; 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium; GTPL3184; SCHEMBL8384475; BDBM50373099; NE 10575; 3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridin-1-ium; [1-Hydroxy-2-(1-methylpyridinium-3-yl)ethylidene]bisphosphonic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C8H14NO7P2+
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| Canonical SMILES |
C[N+]1=CC=CC(=C1)CC(O)(P(=O)(O)O)P(=O)(O)O
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| InChI |
1S/C8H13NO7P2/c1-9-4-2-3-7(6-9)5-8(10,17(11,12)13)18(14,15)16/h2-4,6,10H,5H2,1H3,(H3-,11,12,13,14,15,16)/p+1
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| InChIKey |
BBNRLGQPSIXFHZ-UHFFFAOYSA-O
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Geranyltranstransferase (FDPS) | Target Info | Inhibitor | [2] |
| BioCyc | 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 | ||||
| Influenza A | ||||
| HTLV-I infection | ||||
| NetPath Pathway | TCR Signaling Pathway | |||
| 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) | |||
| SREBP signalling | ||||
| Cholesterol Biosynthesis | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: 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: 3184). | |||
| REF 2 | Structure-activity relationships among the nitrogen containing bisphosphonates in clinical use and other analogues: time-dependent inhibition of hu... J Med Chem. 2008 Apr 10;51(7):2187-95. | |||
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