Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D03ZDC
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| Former ID |
DNC001003
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| Drug Name |
NE21650
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| Synonyms |
CHEMBL414849; NE-21650; Ne 21650; GTPL3167; BDBM50173792; 2-(2-aminophenyl)-1-hydroxyethane-1,1-diyldiphosphonic acid; [2-(2-aminophenyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid; [2-(2-Amino-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid; hydrogen [2-(2-azaniumylphenyl)-1-hydroxy-1-phosphonatoethyl]phosphonate
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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 |
C8H13NO7P2
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| Canonical SMILES |
C1=CC=C(C(=C1)CC(O)(P(=O)(O)O)P(=O)(O)O)N
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| InChI |
1S/C8H13NO7P2/c9-7-4-2-1-3-6(7)5-8(10,17(11,12)13)18(14,15)16/h1-4,10H,5,9H2,(H2,11,12,13)(H2,14,15,16)
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| InChIKey |
VJXYJONFUZXZJZ-UHFFFAOYSA-N
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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 | ||||
| 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) | |||
| 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: 3167). | |||
| REF 2 | Identification of a bisphosphonate that inhibits isopentenyl diphosphate isomerase and farnesyl diphosphate synthase. Biochem Biophys Res Commun. 2002 Jan 18;290(2):869-73. | |||
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