Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0RN8T
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| Former ID |
DIB019334
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| Drug Name |
PMID20299227C20
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| Synonyms |
GTPL3133; BDBM50315414
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
 |
Download2D MOL
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| Formula |
C13H18N2O11P2S
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| Canonical SMILES |
C1=CC=C(C=C1)S(=O)(=O)C2=NON=C2OCCCCC(O)(P(=O)(O)O)P(=O)(O)O
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| InChI |
1S/C13H18N2O11P2S/c16-13(27(17,18)19,28(20,21)22)8-4-5-9-25-11-12(15-26-14-11)29(23,24)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2,(H2,17,18,19)(H2,20,21,22)
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| InChIKey |
PSWFNEHHRVMWEJ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Squalene synthetase (FDFT1) | Target Info | Inhibitor | [1] |
| BioCyc | Cholesterol biosynthesis II (via 24,25-dihydrolanosterol) | |||
| Cholesterol biosynthesis III (via desmosterol) | ||||
| Cholesterol biosynthesis I | ||||
| Superpathway of cholesterol biosynthesis | ||||
| Epoxysqualene biosynthesis | ||||
| KEGG Pathway | Steroid biosynthesis | |||
| Metabolic pathways | ||||
| Biosynthesis of antibiotics | ||||
| Panther Pathway | Cholesterol biosynthesis | |||
| Pathwhiz Pathway | Steroid Biosynthesis | |||
| Reactome | Cholesterol biosynthesis | |||
| PPARA activates gene expression | ||||
| Activation of gene expression by SREBF (SREBP) | ||||
| WikiPathways | Statin Pathway | |||
| Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha) | ||||
| Activation of Gene Expression by SREBP (SREBF) | ||||
| SREBP signalling | ||||
| Cholesterol Biosynthesis | ||||
| Cholesterol biosynthesis | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and preliminary pharmacological characterisation of a new class of nitrogen-containing bisphosphonates (N-BPs). Bioorg Med Chem. 2010 Apr 1;18(7):2428-38. | |||
| REF 2 | 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: 3133). | |||
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