Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Y3XR
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| Former ID |
DIB020515
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| Drug Name |
NE58043
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| Synonyms |
NE 58043
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C7H11NO6P2
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| Canonical SMILES |
C1=CC(=CN=C1)CC(P(=O)(O)O)P(=O)(O)O
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| InChI |
1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)4-6-2-1-3-8-5-6/h1-3,5,7H,4H2,(H2,9,10,11)(H2,12,13,14)
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| InChIKey |
KZMOFWIRXNQJET-UHFFFAOYSA-N
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| CAS Number |
CAS 75755-10-1
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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: 3179). | |||
| 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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